SCHEMBL4824181

SCHEMBL4824181

COc1ccc2c(c1)c(C=O)c(/C=C/N(C)C)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 5/20 0.40

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
SCHEMBL4824189 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDKDM4EMAPT
SCHEMBL4825621 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDKDM4EHTT
SCHEMBL4824407 0.81 LMNA (0.39) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL4824398 0.81 LMNA (0.39) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL7601817 0.77 MEN1 (0.64) ALDH1A1L3MBTL1HPGDKDM4EMAPT
SCHEMBL4819605 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1HPGDMAPTHTT
SCHEMBL4819612 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1HPGDMAPTHTT
SCHEMBL4823281 0.77 MAPT (0.49) ALDH1A1L3MBTL1KDM4EMAPTHTT
SCHEMBL4823274 0.77 MAPT (0.49) ALDH1A1L3MBTL1KDM4EMAPTHTT
SCHEMBL29957009 0.76 MAPT (0.50) ALDH1A1L3MBTL1HPGDKDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 — — US disclosed
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 — — US disclosed
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 — — US disclosed
US-20050065173-A1 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED 2005-03-24 — — US disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 — — WO disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 — — WO 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-20050065173-A1 Compounds useful as promoters of SMN2 SMN1; SMN2, NSUN2, MECP2 ALDH1A1 1813/4885L3MBTL1 893/4885HPGD 2153/4885

“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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