SCHEMBL11087730

SCHEMBL11087730

Cc1cn(C)c2c(C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.48
FTO Q9C0B1 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 2/20 0.46
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GSK3B P49841 1/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.37
NQO2 P16083 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL12918295 0.81 CYP3A4 (0.44) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL13806400 0.81 ALKBH5 (0.44) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL25667869 0.81 ALKBH5 (0.44) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL12918296 0.81 CYP1A2 (0.41) ALKBH5FTOCYP1A2CYP2A6CTSG
SCHEMBL17553830 0.81 PCSK9 (0.39) ALKBH5FTOCYP1A2CYP2A6BRD4
SCHEMBL18508887 0.81 ALDH1A1 (0.38) ALKBH5FTOCYP1A2CYP2A6BRD4
SCHEMBL17385120 0.78 NQO2 (0.58) ALDH1A1MAPTKDM4EATMCYP19A1
SCHEMBL28383417 0.78 ALKBH5 (0.42) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL12536129 0.78 PTGS2 (0.47) ALKBH5FTOCYP1A2CYP2A6MEN1
SCHEMBL25669450 0.78 MEN1 (0.39) ALKBH5FTOCYP1A2CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
EP-1812426-B1 ARYL SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-06-08 EP disclosed
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 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 (3 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ALKBH5 1735/4885FTO 4743/4885CYP1A2 1013/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 ALKBH5 3670/4885FTO 3948/4885CYP1A2 797/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALKBH5 2015/4885FTO 4627/4885CYP1A2 3383/4885

“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.