SCHEMBL2767359

SCHEMBL2767359

C=C(C)C(=O)Nc1ccc(C#N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.48
BLM P54132 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
IMPDH2 P12268 1/20 0.41
BAZ1A Q9NRL2 1/20 0.41
AR P10275 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL204260 0.88 ALDH1A1 (0.57) TDP1ALDH1A1BLMRXFP1POLB
SCHEMBL12117514 0.88 ALDH1A1 (0.50) ALDH1A1BLMPOLBLMNAGAA
SCHEMBL9362968 0.85 TDP1 (0.49) TDP1ALDH1A1BLMRXFP1POLB
SCHEMBL29588415 0.84 ALDH1A1 (0.65) TDP1ALDH1A1BLML3MBTL1IMPDH2
SCHEMBL22626109 0.84 ALDH1A1 (0.65) TDP1ALDH1A1BLML3MBTL1IMPDH2
SCHEMBL202348 0.84 IDO1 (0.54) TDP1ALDH1A1BLMRXFP1POLB
SCHEMBL16722485 0.82 BLM (0.51) ALDH1A1BLMPOLBLMNAGAA
SCHEMBL8718151 0.81 DHODH (0.58) ALDH1A1BLMLMNAGAATP53
SCHEMBL8718146 0.81 DHODH (0.58) ALDH1A1BLMLMNAGAATP53
SCHEMBL10315635 0.80 POLB (0.59) TDP1ALDH1A1BLMRXFP1POLB

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
EP-1641745-B1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORP (FI) 2010-04-14 EP disclosed
US-7390923-B2 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2008-06-24 US disclosed
US-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2007-05-31 US disclosed
EP-1641745-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS Orion Corporation (FI) 2006-04-05 EP disclosed
WO-2005000794-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2005-01-06 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-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators NR5A1, FSHR, GNRHR TDP1 1617/4885ALDH1A1 913/4885BLM 4744/4885

“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.