SCHEMBL4504658

SCHEMBL4504658

C=CCn1c(-c2ccc(Cl)cc2)nn(C(CC)C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.43
AVPR1A P37288 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 5/20 0.41
ALPG P10696 1/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL4502826 0.87 ALDH1A1 (0.43) AVPR2AVPR1AKDM4EALDH1A1ALPG
SCHEMBL4501641 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL22365874 0.79 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL4502064 0.78 AVPR2 (0.49) AVPR2AVPR1AKDM4EALDH1A1HPGD
SCHEMBL3986680 0.77 AVPR2 (0.53) AVPR2AVPR1AKDM4EALDH1A1ALPG
SCHEMBL4507074 0.77 CNR1 (0.39) AVPR2AVPR1AKDM4EALDH1A1GAA
SCHEMBL4499313 0.76 KDM4E (0.43) AVPR2AVPR1AKDM4EALDH1A1HPGD
SCHEMBL414623 0.73 ALDH1A1 (0.34) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL8235892 0.73 AVPR2 (0.49) AVPR2AVPR1AKDM4EALDH1A1GAA
SCHEMBL4513383 0.68 AVPR2 (0.60) AVPR2AVPR1AMAPT

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 AVPR2 1/4885AVPR1A 2/4885KDM4E 4481/4885

“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.