SCHEMBL1906901

SCHEMBL1906901

O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)C(F)=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.54
▸ MEN1 O00255 12/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SLC12A2 P55011 1/20 0.54
▸ SLC12A5 Q9H2X9 1/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ ANO1 Q5XXA6 4/20 0.50
▸ TNF P01375 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL1906900 1.00 KMT2A (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1897695 0.89 ANO1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1897696 0.89 ANO1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12756706 0.80 TRPM8 (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12319226 0.80 KMT2A (0.84) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1951950 0.78 ANO1 (0.61) KMT2AMEN1ANO1
SCHEMBL1951952 0.78 ANO1 (0.61) KMT2AMEN1ANO1
SCHEMBL12314172 0.77 MEN1 (0.80) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14803393 0.76 ANO1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3630632 0.75 MEN1 (0.84) KMT2AMEN1NPC1RAB9ACASP3

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-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
EP-2321303-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2011-05-18 — — EP disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — US disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — 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 (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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 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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