SCHEMBL5638873

SCHEMBL5638873

COc1cc(NC=O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.47
LMNA P02545 2/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
BACE1 P56817 2/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HRH2 P25021 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5638416 0.86 TUBB1 (0.46) LMNAALDH1A1RAB9AKDM4EPOLB
SCHEMBL1486263 0.83 GAA (0.54) LMNAALDH1A1RAB9AKDM4EPOLB
SCHEMBL8022330 0.79 ALDH1A1 (0.50) LMNAALDH1A1RAB9AKDM4EPOLB
SCHEMBL12555538 0.79 GRM4 (0.47) GRM4LMNAALDH1A1RAB9AKDM4E
SCHEMBL8305962 0.77 GRM4 (0.48) GRM4LMNAKCNH2ALDH1A1IDO1
SCHEMBL241795 0.77 RAB9A (0.46) LMNAALDH1A1RAB9APOLBKMT2A
SCHEMBL8244002 0.76 GRM4 (0.50) GRM4LMNAKCNH2ALDH1A1IDO1
SCHEMBL5016366 0.76 GRM4 (0.47) GRM4LMNAKCNH2ALDH1A1IDO1
SCHEMBL19444177 0.76 SMN1; SMN2 (0.48) GRM4LMNAALDH1A1RAB9AGAA
SCHEMBL31337379 0.76 GRM4 (0.47) GRM4LMNAKCNH2ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 GRM4 433/4885LMNA 4340/4885KCNH2 1907/4885

“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.