SCHEMBL3958932

SCHEMBL3958932

COc1cc(NC(C)=O)c(O)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SAE1 Q9UBE0 2/20 0.42
UBA2 Q9UBT2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL20373539 0.88 MEN1 (0.51) MEN1KMT2AMAPTAAK1LMNA
SCHEMBL30665901 0.86 MEN1 (0.50) MEN1KMT2AMAPTPOLBAAK1
SCHEMBL3545178 0.86 MEN1 (0.58) MEN1KMT2AMAPTAAK1LMNA
SCHEMBL26654625 0.86 MEN1 (0.50) MEN1KMT2AMAPTPOLBAAK1
SCHEMBL527222 0.83 MEN1 (0.48) MEN1KMT2AMAPTNPC1POLB
SCHEMBL31096947 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTAAK1LMNA
SCHEMBL15216972 0.82 MEN1 (0.47) MEN1KMT2AMAPTRAB9AAAK1
SCHEMBL6838346 0.81 ALDH1A1 (0.49) MEN1KMT2AMAPTNPC1POLB
SCHEMBL13841103 0.81 MEN1 (0.49) MEN1KMT2AMAPTAAK1LMNA
SCHEMBL16896759 0.80 MEN1 (0.46) MEN1KMT2AMAPTAAK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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 (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-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A MEN1 3896/4885KMT2A 1734/4885MAPT 3438/4885
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 MEN1 2757/4885KMT2A 1208/4885MAPT 2737/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 MEN1 2757/4885KMT2A 1208/4885MAPT 2737/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 MEN1 2757/4885KMT2A 1208/4885MAPT 2737/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A MEN1 3988/4885KMT2A 1823/4885MAPT 3401/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 MEN1 2757/4885KMT2A 1208/4885MAPT 2737/4885

“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.