SCHEMBL8235502

SCHEMBL8235502

COC(C)(C)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 4/20 0.47
GFER P55789 3/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA9 Q16790 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.35

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
SCHEMBL8227328 0.86 APOBEC3G (0.51) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8738538 0.83 APOBEC3G (0.51) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8232792 0.81 APOBEC3G (0.48) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL16542299 0.80 APOBEC3G (0.45) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8233155 0.79 APOBEC3G (0.68) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL4270680 0.78 APOBEC3G (0.61) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL2435199 0.76 GAA (0.64) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL165618 0.76 APOBEC3G (0.44) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8233143 0.76 ALDH1A1 (0.58) APOBEC3GGFERLMNATDP1ALDH1A1
Water SCHEMBL2512796 0.75 APOBEC3G (0.43) APOBEC3GGFERLMNATDP1ALDH1A1

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 6 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-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 APOBEC3G 3518/4885GFER 2439/4885LMNA 2681/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B APOBEC3G 3518/4885GFER 2439/4885LMNA 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.