SCHEMBL12181644

SCHEMBL12181644

O=C(Nc1ccc(-c2cc3c(cc2Br)CCO3)cc1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ TP53 P04637 5/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPT P10636 6/20 0.48
▸ HTT P42858 3/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ PTPRC P08575 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CTSS P25774 1/20 0.43

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
SCHEMBL15164985 0.88 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL15164983 0.88 SMO (0.50) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL15164984 0.88 NPC1 (0.56) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL15164989 0.88 NPC1 (0.56) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL15171253 0.86 STIM1 (0.50) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL1701188 0.86 NPC1 (0.48) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL12181671 0.85 NPC1 (0.56) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL12181668 0.85 NPC1 (0.56) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL15164958 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL15171252 0.82 RAB9A (0.42) SMN1; SMN2NPC1RAB9ATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 — — 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885

“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.

Send feedback