SCHEMBL1496281

SCHEMBL1496281

CN(C(=O)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccccc3-c3ccccc3)c2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
PPARG P37231 5/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
F3 P13726 1/20 0.47

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
SCHEMBL7610822 0.97 ALDH1A1 (0.52) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL1496272 0.92 MTTP (0.53) PPARG
SCHEMBL7609244 0.88 HTT (0.55) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7613182 0.86 CHRNB2 (0.57) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7607114 0.86 CHRNB2 (0.58) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7610932 0.86 CHRNB2 (0.60) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7612255 0.84 HTT (0.49) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7610512 0.83 L3MBTL1 (0.61) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7612899 0.83 SENP1 (0.64) ALDH1A1HTTHPGDLMNAMAPK1
SCHEMBL7611172 0.82 HTT (0.57) ALDH1A1HTTHPGDLMNAMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US 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 (3 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 ALDH1A1 190/4885HTT 3107/4885HPGD 1958/4885
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B ALDH1A1 902/4885HTT 1873/4885HPGD 286/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 902/4885HTT 1873/4885HPGD 286/4885

“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.