SCHEMBL722485

SCHEMBL722485

Cc1cc(CC=NO)c(O)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 3/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
JAK2 O60674 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MCL1 Q07820 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
SCHEMBL14742524 0.79 ALOX12 (0.35) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL18209542 0.74 MCL1 (0.43) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL20270701 0.71 IMPDH2 (0.35) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL2144792 0.71 ALOX15 (0.38) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL4573203 0.71 ALOX15 (0.38) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL19165621 0.70 FFAR4 (0.35) MAPTLMNAALDH1A1
SCHEMBL28161820 0.68 TSHR (0.38) MAPTHPGDHTTLMNAALDH1A1
SCHEMBL68996 0.68 ALOX15 (0.43) ALOX12ALOX15KDM4EMAPTHPGD
SCHEMBL3934466 0.67 TYR (0.54) ALOX15MAPTHTTTDP1
SCHEMBL4667516 0.67 EGFR (0.43) ALOX12ALOX15MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 CN disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 EP disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 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 (10 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX12 907/4885ALOX15 1014/4885KDM4E 4057/4885

“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.