SCHEMBL9952530

SCHEMBL9952530

Nc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
KDM1A O60341 3/20 0.60
KIF11 P52732 4/20 0.59
PTGS1 P23219 1/20 0.49
LTA4H P09960 1/20 0.43
FEN1 P39748 4/20 0.43
ALOX5AP P20292 3/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CASP1 P29466 1/20 0.41
GCK P35557 1/20 0.41
GCKR Q14397 1/20 0.41

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
SCHEMBL29690424 0.84 KIF11 (0.61) MAOBKDM1AKIF11CASP1
SCHEMBL28530523 0.84 KIF11 (0.61) MAOBKDM1AKIF11CASP1
SCHEMBL30337692 0.84 METAP2 (0.45) MAOBKDM1A
SCHEMBL8974216 0.84 METAP2 (0.45) MAOBKDM1A
SCHEMBL14988472 0.84 KDM1A (0.61) MAOBKDM1AKIF11PTGS1FEN1
SCHEMBL4342508 0.82 KIF11 (0.59) MAOBKDM1AKIF11CASP1
SCHEMBL18078706 0.82 KDM1A (0.57) MAOBKDM1AKIF11FEN1ALOX5AP
SCHEMBL27344645 0.82 KIF11 (0.63) MAOBKDM1AKIF11FEN1ALOX5AP
SCHEMBL30087143 0.82 METAP2 (0.48) MAOBKDM1A
SCHEMBL6804411 0.82 METAP2 (0.48) MAOBKDM1A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042658-B1 MEDICINAL COMPOSITION IMPROVING LEPTIN RESISTANCE UNIV KYOTO (JP) 2019-01-16 EP disclosed
WO-2018051252-A2 NOVEL AMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND MITICIDE INSECTICIDES (INDIA) LIMITED (IN) 2018-03-22 WO disclosed
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
US-9206129-B2 Agent for treatment of eye diseases DAITO CHEMIX CORPORATION (JP) 2015-12-08 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
EP-2623494-B1 AGENT FOR TREATMENT OF EYE DISEASES DAITO CHEMIX CORP (JP) 2015-09-02 EP disclosed
CN-103261165-B Glucagon receptor modulators PFIZER INC. (US) 2015-08-26 CN disclosed
US-7795471-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2010-09-14 US disclosed
US-7795471-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2010-09-14 US disclosed
US-20090221817-A1 Triethylamine was added dropwise to a solution of 2-methylpropane-2-sulfinyl chloride and methyl trans-4-amino-1-cyclohexane carboxylate p-toluenesulfonate in tetrahydrofuran solvent to obtain Methyl trans-4-(2-methylpropane-2-sulfonylamino)cyclohexanecarboxylate; hydrolysis; oxidation; intermediates SHIONOGI & CO., LTD. (JP) 2009-09-03 US disclosed
US-20090221817-A1 Triethylamine was added dropwise to a solution of 2-methylpropane-2-sulfinyl chloride and methyl trans-4-amino-1-cyclohexane carboxylate p-toluenesulfonate in tetrahydrofuran solvent to obtain Methyl trans-4-(2-methylpropane-2-sulfonylamino)cyclohexanecarboxylate; hydrolysis; oxidation; intermediates SHIONOGI & CO., LTD. (JP) 2009-09-03 US disclosed
US-7547800-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2009-06-16 US disclosed
US-7547800-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2009-06-16 US disclosed
US-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-02-12 US disclosed
US-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-02-12 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 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 (3 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-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES ACMSD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AADAT MAOB 1709/4885KDM1A 1332/4885KIF11 3353/4885
US-20090221817-A1 Triethylamine was added dropwise to a solution of 2-methylpropane-2-sulfinyl chloride and methyl trans-4-amino-1-cyclohexane carboxylate p-toluenesulfonate in tetrahydrofuran solvent to obtain Methyl trans-4-(2-methylpropane-2-sulfonylamino)cyclohexanecarboxylate; hydrolysis; oxidation; intermediates TST, ACMSD, PNMT MAOB 1506/4885KDM1A 359/4885KIF11 4584/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 MAOB 2356/4885KDM1A 3632/4885KIF11 4048/4885

“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.