SCHEMBL13554596

SCHEMBL13554596

O=C(Nc1ccc(I)c(-c2nccc3ccccc23)c1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.58
▸ NPC1 O15118 7/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ LMNA P02545 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46

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
SCHEMBL13554594 0.88 LMNA (0.49) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13552857 0.88 NPC1 (0.61) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13554607 0.86 MEN1 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13554598 0.83 CYP2C9 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13554597 0.83 GRM4 (0.55) RAB9ANPC1SMN1; SMN2KDM4EKCNK3
SCHEMBL13554670 0.82 TUBB4A (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13554679 0.81 PTPN2 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13554830 0.81 CA12 (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13554599 0.81 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13554834 0.80 NPC1 (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 RAB9A 447/4885NPC1 1532/4885ALDH1A1 2485/4885

“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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