SCHEMBL2929137

SCHEMBL2929137

CCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 3/20 0.54
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL10937894 0.88 RAB9A (0.64) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL11525238 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL11638101 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL11521917 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL14211024 0.84 KMT2A (0.58) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL11522897 0.84 CYP3A4 (0.65) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8718043 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL3164500 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL11511522 0.82 KMT2A (0.51) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL9693982 0.81 MAPT (0.52) ALDH1A1KMT2AMEN1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 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 (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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885KMT2A 2165/4885MEN1 4164/4885

“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.