SCHEMBL4490832

SCHEMBL4490832

COCC(NC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TACR3 P29371 1/20 0.52
TSHR P16473 1/20 0.51
ROCK2 O75116 3/20 0.50
ROCK1 Q13464 3/20 0.50
NAMPT P43490 1/20 0.50
MAPK1 P28482 5/20 0.49
HPGD P15428 1/20 0.47
MMP2 P08253 3/20 0.47
MMP3 P08254 2/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7723790 0.88 TAS1R3 (0.56) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL792022 0.88 TAS1R3 (0.56) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL7723793 0.88 TAS1R3 (0.56) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL14186870 0.86 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL1953141 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TACR3TSHRNAMPT
SCHEMBL14893136 0.86 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL15716619 0.86 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL18943197 0.86 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL29367113 0.85 TAS1R3 (0.67) TAS1R3TAS1R1TACR3ROCK2ROCK1
SCHEMBL19652271 0.85 TAS1R3 (0.53) TAS1R3TAS1R1TACR3TSHRROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
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 (2 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 TAS1R3 491/4885TAS1R1 536/4885TACR3 145/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B TAS1R3 491/4885TAS1R1 536/4885TACR3 145/4885

“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.