SCHEMBL4823281

SCHEMBL4823281

CN(C)C=Cc1c(C=O)c2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ LMNA P02545 3/20 0.42
▸ F2RL3 Q96RI0 6/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ F2R P25116 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37

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
SCHEMBL4823274 1.00 MAPT (0.49) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4818379 0.82 MAPT (0.46) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4818373 0.82 MAPT (0.46) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4824398 0.79 LMNA (0.39) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4825621 0.79 ALDH1A1 (0.44) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4824407 0.79 LMNA (0.39) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4825626 0.79 ALDH1A1 (0.44) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL13537249 0.79 MAPT (0.68) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL8504339 0.78 MAPT (0.55) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4824181 0.77 ALDH1A1 (0.44) MAPTMEN1KMT2ASMN1; SMN2NPSR1

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 3 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
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 MAPT 1001/4885LMNA 238/4885F2RL3 4592/4885

“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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