SCHEMBL13554670

SCHEMBL13554670

O=C(Nc1ccc(I)c(-c2nccc3ccccc23)c1)c1ncc(-c2cccnc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45
▸ TUBB2B Q9BVA1 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.45
▸ CYP2C9 P11712 4/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ MAPT P10636 7/20 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
SCHEMBL13552844 0.90 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13554596 0.82 RAB9A (0.58) ALDH1A1L3MBTL1PTK2BMAPTKDM4E
SCHEMBL13554607 0.79 MEN1 (0.46) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL13554594 0.77 LMNA (0.49) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL13554598 0.76 CYP2C9 (0.42) CYP2C9MAPTTP53SMN1; SMN2POLB
SCHEMBL13554597 0.76 GRM4 (0.55) KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13554834 0.74 NPC1 (0.43) CYP2C9MAPTKDM4ESMN1; SMN2POLB
SCHEMBL13554649 0.74 PRKCI (0.52) CYP2C9MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL13554739 0.74 MEN1 (0.44) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL13554651 0.73 KDR (0.38) ALDH1A1MAPTKDM4EHPGDTP53

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 TUBB4A 1114/4885TUBB 1249/4885TUBA3C 2071/4885

“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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