SCHEMBL12830007

SCHEMBL12830007

O=C(NCCc1ccccc1)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44

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
SCHEMBL12830003 0.89 TP53 (0.49) MAPTMEN1KMT2AROCK2ROCK1
SCHEMBL1490241 0.84 ALOX15 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12756631 0.82 NPY5R (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12756632 0.81 LMNA (0.50) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL12756660 0.81 HDAC1 (0.48) SMN1; SMN2MEN1KMT2A
SCHEMBL12756682 0.80 PPARG (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL1953070 0.80 ANO1 (0.58) CNR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12830004 0.80 ROCK2 (0.46) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1491014 0.80 HDAC3 (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1490370 0.79 HCAR2 (0.47) SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CNR1 307/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CNR1 307/4885NPC1 262/4885RAB9A 1174/4885

“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.