SCHEMBL3333548

SCHEMBL3333548

O=C1C(Br)=C(c2ccncc2)OC12CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD11B1 P28845 1/20 0.33
CDC7 O00311 4/20 0.33
DBF4 Q9UBU7 4/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
ROCK1 Q13464 3/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL6997299 0.78 RAB9A (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL7001813 0.77 PTGS2 (0.44)
SCHEMBL6994135 0.76 PTGS2 (0.43)
SCHEMBL286590 0.76 KMT2A (0.35) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL16263830 0.69 KDM4E (0.40) ALDH1A1HPGDKDM4ECDK2LMNA
SCHEMBL1420368 0.68 SIGMAR1 (0.51) ALDH1A1HPGDSMN1; SMN2KDM4ECDC7
SCHEMBL4131356 0.58 CDC7 (0.37) ALDH1A1HPGDSMN1; SMN2KDM4ECDC7
SCHEMBL12169141 0.58 ELANE (0.39) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL19238848 0.58 ESR1 (0.52) ALDH1A1SMN1; SMN2HSD11B1LMNAMAPT
SCHEMBL10604188 0.57 HDAC3 (0.42) ALDH1A1KDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALDH1A1 699/4885HPGD 142/4885SMN1; SMN2 242/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A ALDH1A1 699/4885HPGD 142/4885SMN1; SMN2 242/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALDH1A1 699/4885HPGD 142/4885SMN1; SMN2 242/4885

“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.