SCHEMBL12271313

SCHEMBL12271313

O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc2ncsc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ CASP3 P42574 1/20 0.63
▸ SENP8 Q96LD8 1/20 0.63
▸ SENP7 Q9BQF6 1/20 0.63
▸ SENP6 Q9GZR1 1/20 0.63
▸ TNF P01375 1/20 0.58
▸ PRNP P04156 1/20 0.58
▸ NOD2 Q9HC29 1/20 0.58
▸ NOD1 Q9Y239 1/20 0.58
▸ ANO1 Q5XXA6 4/20 0.53
▸ NLRP3 Q96P20 1/20 0.51
▸ GRIN2C Q14957 3/20 0.50
▸ GFER P55789 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HKDC1 Q2TB90 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1954773 0.90 ANO1 (0.65) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL1954804 0.86 MEN1 (0.62) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3629424 0.84 MEN1 (0.88) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL12756419 0.82 NPC1 (0.62) RAB9ANPC1MEN1KMT2AGFER
SCHEMBL1954877 0.82 MEN1 (0.62) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL1896682 0.81 ANO1 (0.65) ANO1
SCHEMBL15233176 0.81 CASP3 (0.83) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3626808 0.81 MEN1 (0.70) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL12314185 0.80 MEN1 (0.66) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL12314172 0.80 MEN1 (0.80) RAB9ANPC1MEN1KMT2ACASP3

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 6 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
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 — — US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 — — US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — 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 (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-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885

“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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