SCHEMBL13554649

SCHEMBL13554649

Nc1ncccc1C(=O)Nc1ccc(I)c(-c2nccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.52
▸ VCP P55072 4/20 0.48
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ KDR P35968 3/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL13554834 0.88 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13552822 0.88 PRKCI (0.52) PRKCIVCPNPC1RAB9AGRM4
SCHEMBL13554597 0.84 GRM4 (0.55) NPC1RAB9AKDM4ESMN1; SMN2GRM4
SCHEMBL13554739 0.82 MEN1 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13554618 0.81 MEN1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13554594 0.81 LMNA (0.49) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL13554596 0.80 RAB9A (0.58) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13554598 0.80 CYP2C9 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13554836 0.79 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13554611 0.78 NPC1 (0.51) NPC1RAB9AMEN1KMT2AKDM4E

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 PRKCI 638/4885VCP 4675/4885NPC1 1532/4885

“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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