SCHEMBL4818379

SCHEMBL4818379

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.46
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ F2RL3 Q96RI0 4/20 0.39
▸ LMNA P02545 3/20 0.38
▸ F2R P25116 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL4818373 1.00 MAPT (0.46) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL4823281 0.82 MAPT (0.49) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL4823274 0.82 MAPT (0.49) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL2846826 0.71 VCAM1 (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2846824 0.71 VCAM1 (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30600488 0.70 MAPT (0.83) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL155568 0.70 MAPT (0.83) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL17065022 0.70 VCAM1 (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17065023 0.70 VCAM1 (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL13949744 0.67 MEN1 (0.51) MAPTMEN1KMT2ALMNATDP1

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 1001/4885MEN1 3565/4885KMT2A 410/4885

“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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