SCHEMBL1950389

SCHEMBL1950389

CC(C)N1C(=O)c2ccc(NCc3ccc(Cl)cc3)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.41
FFAR1 O14842 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MAPT P10636 1/20 0.40
PDE9A O76083 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL11935928 0.87 RPS6KA2 (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13565894 0.83 DDB1 (0.38) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13565961 0.81 DDB1 (0.37) ADRA2ARAB9ANPC1MEN1KMT2A
SCHEMBL24303348 0.80 S100A4 (0.47) NPC1MEN1KMT2AMAPTGPR119
SCHEMBL20657130 0.78 ALDH1A1 (0.58) RAB9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL13105576 0.74 APP (0.44) MEN1KMT2AKDM4EALDH1A1DDB1
SCHEMBL12540874 0.73 TDP1 (0.43) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL13105810 0.72 APP (0.45) RAB9ANPC1KDM4EALDH1A1DDB1
SCHEMBL11935923 0.72 ALDH1A1 (0.48) RAB9ANPC1GFERMEN1CYP1A2
SCHEMBL22079537 0.71 PTK2 (0.51) KDM4EALDH1A1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP claimed
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP disclosed
US-8399481-B2 Compounds XENTION LTD (GB) 2013-03-19 US disclosed
EP-2438044-A1 COMPOUNDS Xention Limited (GB) 2012-04-11 EP disclosed
US-20110136859-A1 Compounds XENTION LTD. (GB) 2011-06-09 US disclosed
WO-2010139953-A1 COMPOUNDS XENTION LIMITED (GB) 2010-12-09 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 (1 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-20110136859-A1 Compounds CYP2C8, CYP3A7, CYP2A7 ADRA2A 216/4885RAB9A 1087/4885NPC1 495/4885

“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.