SCHEMBL3612970

SCHEMBL3612970

Cc1cc(C=O)cc(C)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
SRC P12931 1/20 0.44
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 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
SCHEMBL29017440 0.80 SRC (0.46) SRCMAPTCYP3A4ALDH1A1CYP1A2
SCHEMBL598164 0.80 CYP3A4 (0.53) SRCMAPTCYP3A4ALDH1A1MAPK1
SCHEMBL580023 0.77 POLB (0.52) POLBMAPTALDH1A1CYP1A2L3MBTL1
SCHEMBL4755669 0.76 CYP2C9 (0.43) SRCMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL4283013 0.75 CYP3A4 (0.52) POLBSRCMAPTCYP3A4ALDH1A1
SCHEMBL7530230 0.75 CYP3A4 (0.56) POLBCYP3A4ALDH1A1MAPK1CYP1A2
SCHEMBL1397262 0.75 POLB (0.50) POLBMAPTCYP3A4CYP1A2TSHR
SCHEMBL1800318 0.74 PARP10 (0.44) SRCALDH1A1TSHRPARP10PARP3
SCHEMBL1104463 0.73 POLB (0.48) POLBMAPTCYP3A4ALDH1A1CYP1A2
SCHEMBL17124305 0.73 POLB (0.48) POLBMAPTCYP1A2

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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 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 (2 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 POLB 1278/4885SRC 1133/4885MAPT 2817/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 POLB 800/4885SRC 1585/4885MAPT 1406/4885

“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.