SCHEMBL12156212

SCHEMBL12156212

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(Cl)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ DEGS1 O15121 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ F10 P00742 1/20 0.41

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
SCHEMBL12155603 0.93 IL2 (0.43) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12241418 0.89 NPC1 (0.52) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12155495 0.88 DEGS1 (0.41) SMN1; SMN2TDP1NPC1RAB9ANPSR1
SCHEMBL12156250 0.88 SMN1; SMN2 (0.47) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12156251 0.87 RAB9A (0.44) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL12155501 0.87 NPC1 (0.43) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL12241432 0.87 SMN1; SMN2 (0.38) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12155615 0.87 RAB9A (0.48) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12155613 0.85 IL2 (0.43) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL12155512 0.85 MAPT (0.43) SMN1; SMN2TDP1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP 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-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US 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
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 (2 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 SMN1; SMN2 854/4885TDP1 3096/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885TDP1 3096/4885NPC1 262/4885

“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.

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