SCHEMBL3911987

SCHEMBL3911987

Cc1ccc(C(=O)NN(C)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 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
SCHEMBL3912989 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL28513539 0.83 ALDH1A1 (0.55) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL13182691 0.80 ALDH1A1 (0.61) ALDH1A1GAAHDAC1HDAC6NPC1
Trimethylammonium SCHEMBL4471719 0.76 PARP10 (0.55) ALDH1A1GAAHDAC1HDAC6HTT
SCHEMBL2793617 0.72 ALDH1A1 (0.61) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL28357030 0.72 ALDH1A1 (0.83) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL27871975 0.72 ALDH1A1 (0.55) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL19849081 0.72 ALDH1A1 (0.55) ALDH1A1GAAHDAC1HDAC6NPC1
Trimethylammonium SCHEMBL22265027 0.71 ALDH1A1 (0.54) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL136524 0.71 ALDH1A1 (0.67) ALDH1A1GAAHDAC1HDAC6NPC1

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
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-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

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 ALDH1A1 2276/4885GAA 3599/4885HDAC1 1405/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B ALDH1A1 2276/4885GAA 3599/4885HDAC1 1405/4885

“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.