SCHEMBL8234756

SCHEMBL8234756

COc1cccc(CCNC(=O)Cn2nc(-c3ccc(Cl)cc3)n(C3CC3)c2=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
TRPA1 O75762 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8235343 0.93 CNR1 (0.47) FPR1MAPTTRPA1GAATHRB
SCHEMBL8227895 0.88 LMNA (0.44) FPR1MAPTPOLBTP53LMNA
SCHEMBL8227862 0.84 AVPR2 (0.41) RXFP1
SCHEMBL8227826 0.83 AVPR2 (0.48) TRPA1RXFP1
SCHEMBL12057100 0.83 TRPA1 (0.44) MAPTTRPA1TP53RXFP1
SCHEMBL12057099 0.82 AVPR2 (0.42) MAPTTP53RXFP1
SCHEMBL8227891 0.81 TP53 (0.51) MAPTTRPA1TP53
SCHEMBL8233136 0.81 KMT2A (0.47) MAPTPOLBTP53LMNA
SCHEMBL4512923 0.81 CNR1 (0.47) MAPTTRPA1
SCHEMBL8227821 0.81 LMNA (0.51) MAPTTP53LMNATSHR

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 7 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
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 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
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO 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 FPR1 1111/4885MAPT 4794/4885POLB 4652/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B FPR1 1111/4885MAPT 4794/4885POLB 4652/4885

“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.