SCHEMBL3498796

SCHEMBL3498796

Cc1c(-c2ccc(Cl)cc2)nc2ccc(C(=O)O)cn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDH1 P12830 1/20 0.48
APC P25054 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48
SLC2A2 P11168 1/20 0.47
SLC2A1 P11166 3/20 0.47
BRD4 O60885 1/20 0.47
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
ALB P02768 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TSPO P30536 1/20 0.45
ADORA1 P30542 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL3498373 0.86 CDH1 (0.50) CYP1A2CYP2C9CYP2C19CDH1APC
SCHEMBL3499455 0.86 SLC2A1 (0.52) CYP1A2CYP2C9CYP2C19SLC2A2SLC2A1
SCHEMBL5348158 0.85 AKT1 (0.60) CYP1A2CYP2C9CYP2C19CDH1APC
SCHEMBL5341132 0.84 CDH1 (0.48) CYP1A2CYP2C9CYP2C19CDH1APC
SCHEMBL10175208 0.82 GABRA2 (0.53) SLC2A2SLC2A1NR1I2ABCB11ALB
SCHEMBL5320311 0.80 AKT1 (0.54) CDH1APCCTNNB1TCF7L2SLC2A1
SCHEMBL5347759 0.79 AKT1 (0.52) SLC2A1AKT1AKT2TSPOALDH1A1
SCHEMBL12128935 0.77 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SLC2A1AKT1
SCHEMBL21500651 0.77 AKT1 (0.56) CYP1A2CYP2C9CYP2C19AKT1AKT2
SCHEMBL2127536 0.75 AKT1 (0.58) CYP1A2CYP2C9CYP2C19BRD4AKT1

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CYP1A2 3046/4885CYP2C9 3267/4885CYP2C19 2177/4885

“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.