SCHEMBL4496584

SCHEMBL4496584

CC(C(=O)O)n1nc(-c2ccccc2O)n(Cc2cccc(F)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.49
GNRHR P30968 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL3982008 0.82 CASR (0.50) CASRGNRHRLMNAGLAMAPT
SCHEMBL4489559 0.81 LMNA (0.43) LMNAGLATSHRMAPTKDM4E
SCHEMBL4500643 0.81 GRIN1 (0.43) LMNAGLAMAPTKMT2A
SCHEMBL8234508 0.78 CASR (0.48) CASRGNRHRLMNAGLATSHR
SCHEMBL4502941 0.71 GRIN1 (0.42) CASRGNRHRLMNAGLAKDM4E
SCHEMBL12057069 0.69 EPHX2 (0.53) CASRLMNATSHR
SCHEMBL8233605 0.68 EPHX2 (0.46) CASRLMNATSHR
SCHEMBL5308386 0.68 CASR (0.54) CASRALDH1A1
SCHEMBL5313085 0.67 CASR (0.51) CASRGNRHRKMT2A
SCHEMBL5312353 0.66 CASR (0.54) CASR

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 CASR 277/4885GNRHR 111/4885LMNA 2681/4885

“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.