SCHEMBL3620744

SCHEMBL3620744

CCOC(=O)c1c(-c2ccccc2Br)csc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
PTPN1 P18031 3/20 0.60
THRB P10828 2/20 0.58
TP53 P04637 3/20 0.57
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 4/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.53
NLRP3 Q96P20 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL3620747 0.84 THRB (0.80) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL3630189 0.84 MEN1 (0.74) MAPTTP53PKMHPGDSMN1; SMN2
SCHEMBL3627300 0.80 MAPT (0.72) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL3629109 0.80 MAPT (0.72) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL21247167 0.75 LMNA (0.81) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL3625943 0.74 MEN1 (0.65) MAPTTHRBPKMMEN1KMT2A
SCHEMBL3933219 0.74 LMNA (0.70) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL3629358 0.74 THRB (0.63) MAPTPTPN1THRBTP53MEN1
SCHEMBL3931354 0.74 LMNA (0.67) MAPTPTPN1THRBTP53ALDH1A1
SCHEMBL21247385 0.74 TP53 (0.72) MAPTPTPN1THRBTP53ALDH1A1

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-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 MAPT 1478/4885PTPN1 3156/4885THRB 1606/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885PTPN1 3156/4885THRB 1606/4885

“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.