SCHEMBL4825626

SCHEMBL4825626

CN(C)C=Cc1c(C=O)c2cc(F)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ PER2 O15055 1/20 0.34
▸ CRY1 Q16526 1/20 0.34
▸ CRY2 Q49AN0 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL4825621 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL4824407 0.83 LMNA (0.39) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL4824398 0.83 LMNA (0.39) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL4824181 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL4824189 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL4819605 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTATMLMNA
SCHEMBL4819612 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTATMLMNA
SCHEMBL4823281 0.79 MAPT (0.49) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL4823274 0.79 MAPT (0.49) ALDH1A1KDM4EL3MBTL1HTTMEN1
SCHEMBL29952236 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1HTTMEN1

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 2 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-20050065173-A1 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED 2005-03-24 — — 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-20050065173-A1 Compounds useful as promoters of SMN2 SMN1; SMN2, NSUN2, MECP2 ALDH1A1 1813/4885KDM4E 1457/4885L3MBTL1 893/4885

“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.

Send feedback