SCHEMBL3324948

SCHEMBL3324948

COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
HSD17B10 Q99714 6/20 0.50
CASP1 P29466 5/20 0.50
CASP7 P55210 5/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 10/20 0.49
HPGD P15428 8/20 0.49
GLA P06280 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 7/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL13402786 0.90 ALDH1A1 (0.53) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL3329941 0.88 KDM4E (0.56) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL5334201 0.86 ALDH1A1 (0.54) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL13096492 0.85 ALDH1A1 (0.53) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL3325156 0.84 KDM4E (0.55) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL13856371 0.84 ALDH1A1 (0.51) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL3324919 0.83 ALDH1A1 (0.57) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL13402789 0.83 ALDH1A1 (0.56) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL3320573 0.82 KDM4E (0.52) KDM4EHSD17B10CASP1CASP7TSHR
SCHEMBL13180913 0.82 ALDH1A1 (0.49) KDM4EHSD17B10CASP1CASP7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854809-B1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERNSFORSCHUNG - FRITZ-LIPMANN-INSTITUT E V (FLI) (DE) 2017-12-06 EP disclosed
US-9828344-B2 Inhibitors of the notch signaling pathway and secretion for use in medicine LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2017-11-28 US disclosed
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 US disclosed
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 US disclosed
US-20150299225-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2015-10-22 US disclosed
US-20150299225-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2015-10-22 US disclosed
US-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2015-06-25 US disclosed
US-8546421-B1 Oncogenic-RAS-signal dependent lethal compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-01 US disclosed
US-20100273777-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2010-10-28 US disclosed
US-20100273777-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2010-10-28 US disclosed
US-7803790-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2010-09-28 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
US-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
WO-2008103470-A2 ONCOGENIC-RAS-SIGNAL DEPENDENT LETHAL COMPOUNDS TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-08-28 WO 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 (6 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-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds HRAS, KRAS, NRAS KDM4E 3763/4885HSD17B10 3717/4885CASP1 1322/4885
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 KDM4E 4115/4885HSD17B10 1530/4885CASP1 2392/4885
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 KDM4E 3811/4885HSD17B10 2713/4885CASP1 1597/4885
US-20150299225-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 KDM4E 3811/4885HSD17B10 2713/4885CASP1 1597/4885
US-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE NOTCH1, HES1, NOTCH2 KDM4E 2818/4885HSD17B10 3531/4885CASP1 471/4885
US-20100273777-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 KDM4E 3811/4885HSD17B10 2713/4885CASP1 1597/4885

“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.