SCHEMBL13554594

SCHEMBL13554594

O=C(Nc1ccc(I)c(-c2nccc3ccccc23)c1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ TYK2 P29597 1/20 0.43

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
SCHEMBL13554596 0.88 RAB9A (0.58) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13552799 0.87 LMNA (0.56) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13554597 0.85 GRM4 (0.55) KDM4ESMN1; SMN2RAB9ANPC1KCNK3
SCHEMBL13554830 0.83 CA12 (0.45) LMNAKDM4ERAB9ANPC1KMT2A
SCHEMBL13554598 0.83 CYP2C9 (0.42) SMN1; SMN2RAB9ANPC1POLBKMT2A
SCHEMBL13554804 0.82 PRMT1 (0.46) LMNAALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL13554619 0.81 KDM4E (0.44) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL13554834 0.81 NPC1 (0.43) KDM4ESMN1; SMN2RAB9ANPC1HTT
SCHEMBL13554739 0.81 MEN1 (0.44) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13554649 0.81 PRKCI (0.52) KDM4ESMN1; SMN2RAB9ANPC1HTT

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 LMNA 4456/4885KDM4E 2061/4885ALDH1A1 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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