SCHEMBL11292151

SCHEMBL11292151

Cc1nc(C(C)C)c(C(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16661429 0.84
SCHEMBL104766 0.77 COMT (0.32) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL2600752 0.77 ALDH1A1 (0.31) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL11957356 0.75
SCHEMBL17045369 0.73 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL18973179 0.73
SCHEMBL10986635 0.73 FBP1 (0.37) NPC1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL18647925 0.73
SCHEMBL18596273 0.73 TLR8 (0.32) SMN1; SMN2
SCHEMBL23583864 0.71 GCGR (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-11634445-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-04-25 US disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
US-20200369699-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-11-26 US disclosed
US-10633386-B2 BET protein degraders THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-28 US disclosed
US-20190315788-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-10-17 US disclosed
US-20190169195-A1 BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2019-06-06 US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090105233-A1 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-04-23 US disclosed
US-20090093465-A1 THERAPEUTIC KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-20090082565-A1 METHODS OF PREPARING QUINOLONE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20080318939-A1 METHODS FOR TREATING OPHTHALMIC DISORDERS CYLENE PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080318938-A1 METHODS FOR TREATING ABERRANT CELL PROLIFERATION DISORDERS CYLENE PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070032652-A1 Methods of preparing quinolone analogs SENHWA BIOSCIENCES, INC. (TW) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318939-A1 METHODS FOR TREATING OPHTHALMIC DISORDERS EYA3, UACA, ALDH1A2 NPC1 1062/4885ALDH1A1 273/4885TP53 897/4885
US-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 NPC1 3535/4885ALDH1A1 584/4885TP53 4773/4885
US-20090082565-A1 METHODS OF PREPARING QUINOLONE ANALOGS BAX, BAD, MCL1 NPC1 1678/4885ALDH1A1 2194/4885TP53 6/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 NPC1 4033/4885ALDH1A1 2295/4885TP53 1045/4885
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 NPC1 3102/4885ALDH1A1 305/4885TP53 703/4885
US-20080318938-A1 METHODS FOR TREATING ABERRANT CELL PROLIFERATION DISORDERS MKI67, PCNA, CCNC NPC1 1034/4885ALDH1A1 1908/4885TP53 14/4885
US-20200369699-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, EPCAM, SOD1 NPC1 2857/4885ALDH1A1 853/4885TP53 1963/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 NPC1 3924/4885ALDH1A1 981/4885TP53 41/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 NPC1 245/4885ALDH1A1 1779/4885TP53 751/4885
US-20090093465-A1 THERAPEUTIC KINASE MODULATORS PACSIN2, CKS1B, CSNK1A1 NPC1 3883/4885ALDH1A1 4513/4885TP53 625/4885
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD NPC1 658/4885ALDH1A1 1127/4885TP53 4194/4885
US-20190315788-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, LEF1, ZYX NPC1 859/4885ALDH1A1 656/4885TP53 2637/4885
US-20090105233-A1 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PACSIN2, TNKS, PARP1 NPC1 4479/4885ALDH1A1 3529/4885TP53 494/4885
US-10633386-B2 BET protein degraders BRD4, BET1, BRD1 NPC1 3648/4885ALDH1A1 4006/4885TP53 23/4885
US-20070032652-A1 Methods of preparing quinolone analogs BAX, BAD, MCL1 NPC1 1678/4885ALDH1A1 2194/4885TP53 6/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 NPC1 325/4885ALDH1A1 3080/4885TP53 937/4885
US-20190169195-A1 BET PROTEIN DEGRADERS BRD4, BET1, BRD1 NPC1 3587/4885ALDH1A1 4023/4885TP53 23/4885
US-11634445-B2 Organic electroluminescent materials and devices L1CAM, EPCAM, SOD1 NPC1 2857/4885ALDH1A1 853/4885TP53 1963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.