SCHEMBL3247777

SCHEMBL3247777

CCN(C)C(=O)c1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
DGAT1 O75907 2/20 0.49
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 6/20 0.47
PKM P14618 2/20 0.47
POLB P06746 2/20 0.47
GRM5 P41594 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.41

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
SCHEMBL991484 0.85 GRM5 (0.59) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL4061969 0.84 NAPRT (0.50) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL31606802 0.82 NAPRT (0.60) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL333999 0.82 NAPRT (0.60) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL12280552 0.81 NAPRT (0.47) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL20812007 0.81 HDAC1 (0.50) KMT2AALDH1A1MAPTPOLBGRM5
SCHEMBL1135316 0.80 KMT2A (0.57) NAPRTMEN1KMT2AALDH1A1LMNA
SCHEMBL12844433 0.80 HCAR3 (0.42) KMT2AMAPTGRM5
SCHEMBL28630671 0.79 P4HTM (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29024751 0.79 HCAR3 (0.41) MEN1KMT2AMAPTL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512106-B2 Smoothened modulators and methods of use thereof DUKE UNIVERSITY (US) 2016-12-06 US disclosed
US-9512106-B2 Smoothened modulators and methods of use thereof DUKE UNIVERSITY (US) 2016-12-06 US disclosed
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 US disclosed
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 US disclosed
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN 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 (1 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-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 NAPRT 3570/4885MEN1 1287/4885KMT2A 2237/4885

“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.