SCHEMBL1684384

SCHEMBL1684384

Cc1nc2ncccn2c1C(=O)CBr

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
KDM4E B2RXH2 8/20 0.64
HPGD P15428 7/20 0.64
HSD17B10 Q99714 2/20 0.64
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AR P10275 1/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.37
NTRK1 P04629 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MAPK1 P28482 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
Bromide SCHEMBL2337105 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL18902039 0.87 KDM4E (0.70) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL18902150 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL1684499 0.81 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL17745192 0.81 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16678533 0.80 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL22817528 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL197826 0.75 KMT2A (0.68) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
Bromide SCHEMBL21996101 0.73 KMT2A (0.66) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL1684435 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10HTT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 EP disclosed
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 EP disclosed
EP-3173414-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Biosciences Inc. (US) 2017-05-31 EP disclosed
EP-2188271-B1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC (US) 2017-01-11 EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 EP disclosed
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2011-08-25 US disclosed
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2011-08-25 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
EP-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP disclosed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
WO-2009023402-A2 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC. (US) 2009-02-19 WO disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 US disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 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-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS BMI1, CREBBP, BAZ2A ALDH1A1 2357/4885KDM4E 152/4885HPGD 4501/4885
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, HCCS ALDH1A1 961/4885KDM4E 2327/4885HPGD 231/4885
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, NUDC ALDH1A1 862/4885KDM4E 3222/4885HPGD 195/4885

“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.