SCHEMBL6312858

SCHEMBL6312858

CC1=C(C#N)C(c2cccc(C(=O)O)c2)N(C(=O)O)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PHGDH O43175 1/20 0.39
GAA P10253 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
KMO O15229 1/20 0.37
KDM4E B2RXH2 4/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1B Q00975 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6312900 0.89 HSD17B10 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6138540 0.87 CACNA1F (0.41) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6137169 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6137084 0.86 MAPT (0.45) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6137371 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6318802 0.86 MAPK1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6137120 0.86 CACNA1F (0.44) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6625119 0.84 PDCD1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL6312755 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDGAALMNA
SCHEMBL6319506 0.84 ALDH1A1 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900214-B2 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 ALDH1A1 980/4885MAPT 2038/4885HPGD 712/4885

“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.