SCHEMBL3629368

SCHEMBL3629368

O=C(Nc1scc(-c2ccc(Cl)cc2Cl)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NLRP3 Q96P20 1/20 0.64
HPGD P15428 3/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 2/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ANO1 Q5XXA6 14/20 0.59
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL3627301 0.93 ALDH1A1 (0.67) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL15233172 0.89 ALDH1A1 (0.62) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL13819650 0.89 ALDH1A1 (0.66) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3630944 0.89 ALDH1A1 (0.62) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL3630501 0.88 ANO1 (0.56) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL13926178 0.87 ALDH1A1 (0.61) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL28599810 0.87 GRIN2C (0.65) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3630485 0.86 MEN1 (0.74) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL13819703 0.86 ALDH1A1 (0.62) RAB9AMEN1KMT2ANLRP3HPGD
SCHEMBL12314201 0.86 ALDH1A1 (0.62) RAB9AMEN1KMT2ANLRP3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US claimed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP claimed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US claimed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO claimed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US disclosed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885MEN1 2958/4885KMT2A 4706/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885MEN1 2958/4885KMT2A 4706/4885

“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.