SCHEMBL16328528

SCHEMBL16328528

C=C/C(=C\C=C/C)C(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 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
▸ ANO1 Q5XXA6 6/20 0.46
▸ GSTO1 P78417 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SLC12A2 P55011 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC12A5 Q9H2X9 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41

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
SCHEMBL3629424 0.72 MEN1 (0.88) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL7950446 0.72 ANO1 (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1906900 0.71 KMT2A (0.54) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1906901 0.71 KMT2A (0.54) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL7943080 0.71 ANO1 (0.50) ANO1
SCHEMBL1907632 0.70 ANO1 (0.79) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL12314172 0.70 MEN1 (0.80) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3622116 0.70 MEN1 (1.00) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL12314174 0.70 MEN1 (1.00) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL7899493 0.68 GRIN2C (0.81) MEN1KMT2ANPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — 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 (1 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 MEN1 2958/4885KMT2A 4706/4885NPC1 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.

Send feedback