SCHEMBL157198

SCHEMBL157198

CCc1nc(-c2ccc(C(C)(C)C)cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
TP53 P04637 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
KLF5 Q13887 2/20 0.62
NPC1 O15118 8/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 5/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ACACB O00763 1/20 0.56
ACACA Q13085 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL2245578 0.85 TP53 (0.60) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL95161 0.85 TP53 (0.64) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL95162 0.85 RAB9A (0.64) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL95543 0.83 SMN1; SMN2 (0.69) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL95542 0.83 SMN1; SMN2 (0.69) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL12449563 0.81 MAPT (0.53) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL12525780 0.81 MAPT (0.61) RAB9ATP53SMN1; SMN2NPC1CYP1A2
SCHEMBL10053485 0.81 SMN1; SMN2 (0.63) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL8592557 0.79 ACACB (0.59) RAB9ATP53SMN1; SMN2NPC1CYP1A2
SCHEMBL14339592 0.79 NOTUM (0.64) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 EP disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 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 (7 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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 RAB9A 2161/4885TP53 86/4885SMN1; SMN2 2387/4885
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R RAB9A 4001/4885TP53 4857/4885SMN1; SMN2 2650/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 RAB9A 3153/4885TP53 4732/4885SMN1; SMN2 3787/4885
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B RAB9A 2917/4885TP53 1147/4885SMN1; SMN2 2019/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885TP53 1280/4885SMN1; SMN2 3084/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 RAB9A 566/4885TP53 3446/4885SMN1; SMN2 696/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 RAB9A 2161/4885TP53 86/4885SMN1; SMN2 2387/4885

“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.