SCHEMBL4908474

SCHEMBL4908474

CC(c1ccc([N+](=O)[O-])cc1)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
PHLPP2 Q6ZVD8 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL5372649 1.00 MAPT (0.58) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL25244502 0.82 L3MBTL1 (0.51) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9401173 0.80 CYP19A1 (0.46) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7491094 0.79 MAPT (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL27594561 0.79 MAPT (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL254528 0.79 ALDH1A1 (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL5114155 0.78 ALDH1A1 (0.55) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL5913538 0.78 MEN1 (0.55) MAPTL3MBTL1TSHRTDP1ACHE
SCHEMBL18762840 0.78 CHRNA7 (0.43) MAPTACHEALDH1A1KDM4EMEN1
SCHEMBL11695567 0.77 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP 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-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS P2RY1, P2RY11, P2RX7 MAPT 4693/4885L3MBTL1 3960/4885MAPK1 273/4885

“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.