SCHEMBL14416201

SCHEMBL14416201

Cc1ccc(C=CC(=O)N=[N+]=[N-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ FOS P01100 1/20 0.49
▸ JUN P05412 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ MAOA P21397 3/20 0.46
▸ MAOB P27338 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43

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
SCHEMBL14420555 1.00 MAPT (0.51) MAPTFOSJUNALDH1A1CYP3A4
SCHEMBL13460135 0.83 ESR1 (0.46) MAPTALDH1A1RAB9AMAOAMAOB
SCHEMBL13730038 0.83 HSD11B1 (0.56) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL13730037 0.83 HSD11B1 (0.56) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL29910010 0.82 MAPT (0.53) MAPTALDH1A1CYP3A4MAOAMAOB
SCHEMBL13948724 0.82 MAPT (0.53) MAPTALDH1A1CYP3A4MAOAMAOB
SCHEMBL14924400 0.81 MAOA (0.50) MAPTALDH1A1HPGDRAB9AMAOA
SCHEMBL15468100 0.79 CYP1A2 (0.60) MAOAMAOBTRPM8CYP1B1CYP1A1
SCHEMBL15468099 0.79 CYP1A2 (0.60) MAOAMAOBTRPM8CYP1B1CYP1A1
SCHEMBL31308838 0.76 CYP1A1 (0.48) CYP1B1CYP1A1

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-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 — — US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 — — US disclosed
CN-1299677-C Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-02-14 — — CN disclosed
CN-1668297-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-09-14 — — CN disclosed
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 — — CN 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 MAPT 3911/4885FOS 2294/4885JUN 2398/4885

“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.

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