SCHEMBL13554833

SCHEMBL13554833

S=C(Nc1ccc(I)c(-c2nccc3ccccc23)c1)Nc1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ DUSP3 P51452 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ BLM P54132 1/20 0.37

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
SCHEMBL13554603 0.87 GAA (0.43) QPCTKMT2AMEN1DUSP3RAB9A
SCHEMBL13554684 0.87 MEN1 (0.46) QPCTKMT2AMEN1RAB9ANPC1
SCHEMBL13554788 0.87 KMT2A (0.45) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL13554653 0.81 GAA (0.35) QPCTKMT2AMEN1RAB9ANPC1
SCHEMBL13552736 0.80 ALDH1A1 (0.49) QPCTKMT2AMEN1DUSP3RAB9A
SCHEMBL13554600 0.79 NPC1 (0.41) QPCTKMT2AMEN1DUSP3RAB9A
SCHEMBL13554654 0.79 KDM4E (0.43) QPCTKMT2AMEN1GAAALDH1A1
SCHEMBL13554746 0.78 NPC1 (0.47) KMT2AMEN1NPC1GAAALDH1A1
SCHEMBL13554743 0.77 ALDH1A1 (0.52) KMT2ARAB9ANPC1GAAALDH1A1
SCHEMBL13554597 0.76 GRM4 (0.55) RAB9ANPC1SMN1; SMN2KDM4EPKM

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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO QPCT 326/4885KMT2A 1798/4885MEN1 1456/4885

“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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