SCHEMBL8263373

SCHEMBL8263373

CN(C(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
POLQ O75417 3/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
KMT2A Q03164 2/20 0.53
ALOX5 P09917 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
REN P00797 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL17602099 0.89 FNTA (0.55) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL2202453 0.88 KDM4E (0.54) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL5232476 0.88 SRD5A2 (0.51) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL20349603 0.85 ALDH1A1 (0.52) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL17602136 0.85 ALOX5 (0.59) ALDH1A1LMNAALOX5NPC1RAB9A
SCHEMBL15676809 0.85 SIGMAR1 (0.56) ALDH1A1LMNAKMT2AMEN1
SCHEMBL20346359 0.84 POLQ (0.47) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL11630604 0.84 OPRK1 (0.52) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL6184565 0.84 EGFR (0.48) ALDH1A1LMNAPOLQROCK2ROCK1
SCHEMBL3884249 0.84 NOTUM (0.56) ALDH1A1LMNAPOLQROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 CN claimed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 CN disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 ALDH1A1 710/4885LMNA 2979/4885POLQ 1483/4885

“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.