SCHEMBL13729207

SCHEMBL13729207

CC1(C)CC(=S)Nc2ccccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 0.51
ALOX12 P18054 2/20 0.51
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
MAPK1 P28482 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.44
HK1 P19367 1/20 0.44
RECQL P46063 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1119036 0.77 GAA (0.46) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL4910229 0.76 CREBBP (0.46) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL11832782 0.73 KDM4E (0.41) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL29789724 0.70 NOS2 (0.38) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL10757713 0.70 NOS2 (0.38) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL8316095 0.68 BRPF1 (0.36) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL22492411 0.67 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL29789856 0.67 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL4294892 0.66 MEN1 (0.50) ALDH1A1HPGDALOX12KDM4EKMT2A
SCHEMBL3171835 0.65 RAD52 (0.55) ALDH1A1HPGDKDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2705039-A2 BROMODOMAIN INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 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 (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-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT ALDH1A1 3348/4885HPGD 978/4885ALOX12 4059/4885

“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.