SCHEMBL4499313

SCHEMBL4499313

CCC(C(=O)O)n1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.37
TSHR P16473 2/20 0.37
P2RX3 P56373 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4498779 0.86 KDM4E (0.38) KDM4EAVPR2AVPR1ALMNACNR2
SCHEMBL3976537 0.82 LMNA (0.44) KDM4ELMNATSHRP2RX3ALDH1A1
SCHEMBL8235348 0.81 AVPR2 (0.37) AVPR2AVPR1ALMNACNR2ALDH1A1
SCHEMBL4502829 0.78 DRD2 (0.37) KDM4ELMNATSHRALDH1A1DRD2
SCHEMBL4499190 0.77 CNR2 (0.36) KDM4ECNR2TSHRALDH1A1DRD2
SCHEMBL417179 0.77 AVPR2 (0.46) AVPR2AVPR1ALMNACNR2TSHR
SCHEMBL4504658 0.76 AVPR2 (0.43) KDM4EAVPR2AVPR1ALMNATSHR
SCHEMBL4504666 0.76 AKR1C3 (0.41) KDM4ELMNATSHRALDH1A1MAPK1
SCHEMBL4501641 0.75 KDM4E (0.43) KDM4ELMNATSHRALDH1A1MAPK1
SCHEMBL8739481 0.75 AVPR2 (0.44) KDM4EAVPR2AVPR1ALMNACNR2

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 4481/4885AVPR2 1/4885AVPR1A 2/4885

“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.