SCHEMBL12425628

SCHEMBL12425628

CCCCc1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
PDE8B O95263 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20045386 0.94 TDP1 (0.43) HSD11B1KCNH2ALDH1A1SMN1; SMN2MEN1
SCHEMBL19441245 0.92 TDP1 (0.42) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23709740 0.92 TDP1 (0.42) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8342570 0.87
SCHEMBL3321189 0.82 KCNH2 (0.37) KCNH2ALDH1A1SMN1; SMN2PDE10AMEN1
SCHEMBL3327111 0.82 JAK2 (0.40) KCNH2ALDH1A1SMN1; SMN2PDE10AMEN1
SCHEMBL31483066 0.82 CYP2A6 (0.40) KCNH2ALDH1A1SMN1; SMN2PDE10AL3MBTL1
SCHEMBL22267907 0.79 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2PDE10ANPC1RAB9A
SCHEMBL20976274 0.79 HDAC6 (0.41) KCNH2ALDH1A1SMN1; SMN2PDE10AMEN1
SCHEMBL16373719 0.79 ALDH1A1 (0.41) KCNH2ALDH1A1PDE10ANPC1RAB9A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY 2023-05-18 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-12-22 US disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
WO-2021138298-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2021-07-08 WO disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 WO disclosed
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2016-12-01 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8383622-B2 Nitrogen-containing heterocyclic derivative having 11β-hydroxysteroid dehydrogenase type I inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-02-26 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
EP-2163543-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2010-03-17 EP disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP 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 (9 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HSD11B1 3908/4885KCNH2 4608/4885ALDH1A1 1991/4885
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY HSD11B1, HSD3B1, SRD5A1 HSD11B1 1/4885KCNH2 2952/4885ALDH1A1 208/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HSD11B1 3908/4885KCNH2 4608/4885ALDH1A1 1991/4885
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS PADI4, PADI1, PADI6 HSD11B1 798/4885KCNH2 4528/4885ALDH1A1 164/4885
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NAMPT, NNT, NADK HSD11B1 4753/4885KCNH2 2347/4885ALDH1A1 629/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB HSD11B1 1837/4885KCNH2 4229/4885ALDH1A1 3154/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HSD11B1 291/4885KCNH2 2385/4885ALDH1A1 1168/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD11B1 1837/4885KCNH2 4229/4885ALDH1A1 3154/4885
US-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME SPHK2, SPHK1, CLK2 HSD11B1 1391/4885KCNH2 3674/4885ALDH1A1 4057/4885

“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.