SCHEMBL837672

SCHEMBL837672

COc1cccc2c(CN(C)C)c[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.74
HTR2A P28223 1/20 0.64
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 2/20 0.47
FTO Q9C0B1 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRB3 P13945 4/20 0.44

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
SCHEMBL27085094 0.85 HTR6 (1.00) HTR6HTR2AMTNR1AMTNR1BCYP2D6
SCHEMBL30630326 0.85 HTR6 (1.00) HTR6HTR2AMTNR1AMTNR1BCYP2D6
SCHEMBL23707172 0.82 HTR2A (0.69) HTR6HTR2AMTNR1AMTNR1BKDM4E
SCHEMBL24328225 0.81 HTR2A (0.68) HTR6HTR2AMTNR1AMTNR1BKDM4E
SCHEMBL10688869 0.80 HTR6 (0.50) HTR6HTR2AKDM4EALDH1A1HSD17B10
SCHEMBL2379736 0.80 TRPM8 (0.67) HTR6HTR2AKDM4EALDH1A1HSD17B10
SCHEMBL1399180 0.80 LMNA (0.53) HTR6HTR2AALDH1A1LMNAMAPT
SCHEMBL24243676 0.80 HTR6 (0.80) HTR6HTR2AMTNR1AMTNR1BKDM4E
SCHEMBL31415131 0.79 HTR2A (0.61) HTR6HTR2AKDM4EALDH1A1HSD17B10
SCHEMBL11494193 0.79 HTR2A (0.61) HTR6HTR2AKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 WO disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 US disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 US disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
EP-2384753-A1 Hydantoin derivatives as inhibitors of cellular necrosis The Brigham and Women's Hospital, Inc. (US) 2011-11-09 EP disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 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 (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-10308631-B2 Selective anti-cancer compounds CCNA1, CCNY, CCNT1 HTR6 4172/4885HTR2A 4698/4885MTNR1A 2983/4885
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 HTR6 2485/4885HTR2A 3031/4885MTNR1A 3023/4885
US-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD HTR6 3294/4885HTR2A 4015/4885MTNR1A 1614/4885
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS CCNA1, CCNY, CCNT1 HTR6 4172/4885HTR2A 4698/4885MTNR1A 2983/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD HTR6 3294/4885HTR2A 4015/4885MTNR1A 1614/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD HTR6 3294/4885HTR2A 4015/4885MTNR1A 1614/4885

“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.