SCHEMBL3661355

SCHEMBL3661355

NC(=O)c1ccccc1CONC(=O)C[CH]Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ADRA1D P25100 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SIRT2 Q8IXJ6 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK8 P45983 1/20 0.36
MTNR1A P48039 1/20 0.36
CAPN1 P07384 1/20 0.36
HDAC3 O15379 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
PARP1 P09874 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
SCHEMBL3727463 0.77 ADRA1D (0.45) MEN1KMT2AALDH1A1KDM4EADRA1D
SCHEMBL12978568 0.75 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL3319870 0.74 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ESIRT2
SCHEMBL3705964 0.74 IDO1 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1318759 0.71 TSHR (0.52) MEN1KMT2AALDH1A1KDM4EADRA1D
SCHEMBL1927794 0.69 HDAC8 (0.57) MEN1KMT2AHDAC3NCOR2
SCHEMBL27630839 0.69 IDO1 (0.45) LMNA
SCHEMBL15775328 0.68 L3MBTL1 (0.41) MEN1KMT2AALDH1A1KDM4EADRA1D
Benzene SCHEMBL28276192 0.68 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EADRA1D
SCHEMBL1004028 0.67 TSHR (0.58) MEN1KMT2AALDH1A1KDM4EADRA1D

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-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
EP-2225210-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-09-08 EP disclosed
WO-2009076288-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 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 (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-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MEN1 2934/4885KMT2A 2262/4885ALDH1A1 2053/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MEN1 2934/4885KMT2A 2262/4885ALDH1A1 2053/4885

“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.