SCHEMBL3948263

SCHEMBL3948263

COc1ccc2cccc(C#N)c2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
HPGDS O60760 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
AR P10275 3/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 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
SCHEMBL29194864 0.82 MAOA (0.46) IMPDH2IMPDH1BCHEACHEKDM4E
SCHEMBL7369228 0.82 IMPDH2 (0.45) IMPDH2IMPDH1BCHEACHEKDM4E
SCHEMBL3951905 0.79 ALDH1A1 (0.42) IMPDH2IMPDH1KDM4EUSP2ALDH1A1
SCHEMBL16428549 0.79 POLB (0.49) IMPDH2IMPDH1BCHEACHEKDM4E
SCHEMBL9575280 0.75 IMPDH2 (0.62) IMPDH2IMPDH1BCHEACHEKDM4E
SCHEMBL10338061 0.74 TSHR (0.50) KDM4EALDH1A1GAA
SCHEMBL29373184 0.72 MAPT (0.44) KDM4EUSP2ALDH1A1SMN1; SMN2POLB
SCHEMBL819594 0.72 CA1 (0.50) KDM4EALDH1A1GAAMAPT
SCHEMBL29973162 0.72 CA1 (0.50) KDM4EALDH1A1GAAMAPT
SCHEMBL17954514 0.72 BCHE (0.41) IMPDH2IMPDH1BCHEACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
EP-1663929-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE Wyeth (US) 2006-06-07 EP disclosed
WO-2005026105-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE WYETH (US) 2005-03-24 WO disclosed
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2005-03-10 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-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile HRH4, HRH1, HRH3 IMPDH2 1809/4885IMPDH1 1247/4885BCHE 794/4885

“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.