SCHEMBL3919646

SCHEMBL3919646

CC(C)CN(NC(=O)c1cccc(Br)c1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PARP1 P09874 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TP53BP1 Q12888 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
SCHEMBL31055397 0.73 L3MBTL1 (0.72) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL12760632 0.73 L3MBTL1 (0.72) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL31055430 0.73 KMT2A (0.78) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL4743364 0.72 ALDH1A1 (0.46) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL13761476 0.72 ALDH1A1 (0.59) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL401199 0.71 L3MBTL1 (0.64) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL13753288 0.71 ALDH1A1 (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL13753287 0.71 ALDH1A1 (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL266386 0.70 ALDH1A1 (0.69) SMN1; SMN2HTTL3MBTL1ALDH1A1NPC1
SCHEMBL9824905 0.70 POLB (0.51) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A

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 SMN1; SMN2 4777/4885HTT 1997/4885L3MBTL1 4160/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B SMN1; SMN2 4777/4885HTT 1997/4885L3MBTL1 4160/4885

“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.