SCHEMBL4501641

SCHEMBL4501641

CCC(C(=O)O)n1nc(-c2ccc(Cl)cc2)n(CCOC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
PTGER4 P35408 1/20 0.41
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
BRD4 O60885 1/20 0.38
RIPK2 O43353 1/20 0.38
MAPT P10636 3/20 0.38

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
SCHEMBL166929 0.82 AVPR2 (0.45) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL4502064 0.82 AVPR2 (0.49) KDM4EALDH1A1MAPK1TSHRLMNA
SCHEMBL4504658 0.81 AVPR2 (0.43) KDM4EALDH1A1TSHRLMNAHPGD
SCHEMBL4499701 0.79 AVPR2 (0.43) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL22365874 0.78 AVPR2 (0.54)
SCHEMBL8235827 0.76 TSHR (0.56) KDM4EALDH1A1MAPK1TSHRLMNA
SCHEMBL4499313 0.75 KDM4E (0.43) KDM4EALDH1A1MAPK1TSHRLMNA
SCHEMBL409585 0.71 AVPR2 (0.47) KDM4E
SCHEMBL8233583 0.70 RXFP1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4507074 0.69 CNR1 (0.39) KDM4EALDH1A1MAPTKMT2APOLB

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
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B KDM4E 4481/4885ALDH1A1 2276/4885PTGER4 296/4885

“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.