SCHEMBL16644136

SCHEMBL16644136

Brc1cn(-c2nccs2)nc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL16644110 0.74 ALDH1A1 (0.42) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL16644135 0.72 FEN1 (0.35) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL16644143 0.72 ALOX5AP (0.36) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL31222123 0.71 ALDH1A1 (0.35) TDP1L3MBTL1POLBALDH1A1PPARG
SCHEMBL16644152 0.71 ALDH1A1 (0.39) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL16644170 0.71 ALDH1A1 (0.36) TDP1ALDH1A1PPARGMAPK10KMT2A
SCHEMBL16644132 0.71 ALDH1A1 (0.39) TDP1ALDH1A1PPARGMAPK10KMT2A
SCHEMBL16644202 0.70 POLB (0.31) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL16644209 0.68 ALDH1A1 (0.39) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL31222097 0.68 HSD17B10 (0.45) TDP1ALDH1A1KMT2ANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 EPHX2 3546/4885TDP1 3096/4885L3MBTL1 3943/4885

“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.