SCHEMBL4130351

SCHEMBL4130351

Cc1ccc(F)c(-n2nc(CN(C)C(=O)O)cc2Sc2ccc(Cl)nc2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHODH Q02127 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL4125749 0.93 HCRTR1 (0.31) HTR1AKDM4EMAPTMAPK1ATM
SCHEMBL4131684 0.92 KCNQ3 (0.34) PTGDR2HTR2CSLC6A4
SCHEMBL4123906 0.89 SPR (0.35) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL3695013 0.88 HTR2C (0.43) HTR1AHTR2CSLC6A4
SCHEMBL4127365 0.88 SCN9A (0.35) KDM4EALDH1A1RXRAGRIN1GRIN2B
SCHEMBL3695018 0.87
SCHEMBL4125525 0.86 CNR1 (0.35) ALDH1A1L3MBTL1HTR2CSLC6A4
SCHEMBL4130715 0.86 KCNQ3 (0.32) HTR2CSLC6A4
SCHEMBL4126939 0.86 HTR2C (0.32) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL4135599 0.86 HTR2C (0.32) KDM4EALDH1A1HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 HTR1A 3496/4885PTGDR2 1159/4885KDM4E 3808/4885

“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.