SCHEMBL1326422

SCHEMBL1326422

Clc1cnc2c(n1)OCCN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
C5AR1 P21730 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
FAAH O00519 1/20 0.38
CLPP Q16740 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL1325920 0.86 MEN1 (0.45) ALDH1A1SIGMAR1KMT2AMEN1NPC1
SCHEMBL20915174 0.83 FAAH (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1326377 0.83 MAPK1 (0.40) ALDH1A1SIGMAR1KMT2AMEN1NPC1
SCHEMBL1325886 0.82 NPC1 (0.47) SIGMAR1NPC1RAB9ADRD4GAA
SCHEMBL1325785 0.81 NPC1 (0.39) ALDH1A1SIGMAR1KMT2AMEN1NPC1
SCHEMBL1326372 0.80 MEN1 (0.36) ALDH1A1SIGMAR1KMT2AMEN1NPC1
SCHEMBL2125480 0.80 BRS3 (0.39) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1327168 0.80 GRM5 (0.39) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1327054 0.79 PTGER2 (0.36) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2110977 0.79 CYP1A2 (0.45) ALDH1A1SIGMAR1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 US disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-9115139-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
EP-2442870-B1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-04-16 EP disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8314088-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-20 US disclosed
US-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-31 US disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 US disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 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 (11 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-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR5A, HTR2C, HTR2A ALDH1A1 1312/4885SIGMAR1 803/4885KMT2A 1801/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A ALDH1A1 2564/4885SIGMAR1 443/4885KMT2A 1750/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A ALDH1A1 2564/4885SIGMAR1 443/4885KMT2A 1750/4885
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885SIGMAR1 3078/4885KMT2A 64/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A ALDH1A1 2564/4885SIGMAR1 443/4885KMT2A 1750/4885

“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.