SCHEMBL3604936

SCHEMBL3604936

Cc1cc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
NR1D1 P20393 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDK1 Q15118 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SERPINE1 P05121 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
LSS P48449 1/20 0.34

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
SCHEMBL2070045 0.88 CYP19A1 (0.43) MMP1ALDH1A1LMNAMAPTCYP19A1
SCHEMBL27687184 0.87 SERPINE1 (0.40) MMP1ALDH1A1LMNAMAPTCYP19A1
SCHEMBL3609897 0.84 PDK2 (0.39) PDK2PDK4PTGDR2CYP2C8CYP2C9
SCHEMBL2069707 0.81 PDK2 (0.41) ALDH1A1LMNAPDK2PDK4PTGDR2
SCHEMBL25287264 0.79 NR1D1 (0.40) ALDH1A1LMNAMAPTNR1D1CYP2C8
SCHEMBL30487405 0.79 NR1D1 (0.40) ALDH1A1LMNAMAPTNR1D1CYP2C8
SCHEMBL29648273 0.76 MMP1 (0.43) MMP1LMNAMAPTCYP19A1NR1D1
SCHEMBL24497270 0.76 MMP1 (0.43) MMP1LMNAMAPTCYP19A1NR1D1
SCHEMBL24497425 0.76 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPDK2PDK4
SCHEMBL12252112 0.74 PDK2 (0.41) PDK2PDK4PDK1HDAC6SERPINE1

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 MMP1 4138/4885ALDH1A1 206/4885LMNA 1314/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 MMP1 3670/4885ALDH1A1 178/4885LMNA 1032/4885

“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.