SCHEMBL3921034

SCHEMBL3921034

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
APOBEC3G Q9HC16 5/20 0.49
GFER P55789 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 2/20 0.47
HSD11B1 P28845 1/20 0.46
IKBKB O14920 1/20 0.46
MAP3K14 Q99558 1/20 0.46
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NOTUM Q6P988 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2896019 0.85 HSD17B10 (0.65) KMT2AMEN1APOBEC3GLMNATDP1
SCHEMBL9667448 0.81 HSD17B10 (0.47) APOBEC3GLMNATDP1HSD17B10ALDH1A1
SCHEMBL29347138 0.81 HSD17B10 (0.47) KMT2AMEN1APOBEC3GGFERLMNA
SCHEMBL24484066 0.81 HSD17B10 (0.47) KMT2AMEN1APOBEC3GLMNATDP1
SCHEMBL23565310 0.81 ALDH1A1 (0.50) KMT2AMEN1APOBEC3GLMNATDP1
SCHEMBL3520851 0.81 PDE3B (0.47) KMT2ALMNATDP1HSD17B10ALDH1A1
SCHEMBL9265715 0.81 ALDH1A1 (0.55) KMT2AMEN1APOBEC3GLMNAHSD17B10
SCHEMBL8233155 0.80 APOBEC3G (0.68) KMT2AMEN1APOBEC3GGFERLMNA
SCHEMBL9119099 0.79 MAPK9 (0.50) KMT2AMEN1LMNATDP1HSD17B10
SCHEMBL9667806 0.77 HSD17B10 (0.44) KMT2AMEN1APOBEC3GLMNATDP1

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 13 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-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
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-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
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
EP-2027096-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer HealthCare AG (DE) 2009-02-25 EP disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO 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 KMT2A 4657/4885MEN1 1879/4885APOBEC3G 3518/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KMT2A 4657/4885MEN1 1879/4885APOBEC3G 3518/4885

“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.