SCHEMBL9300709

SCHEMBL9300709

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL9398152 0.90 PLAU (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9398155 0.90 PLAU (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10429545 0.83 TDP1 (0.39) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL5408126 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL1756251 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL15057784 0.79 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9300488 0.79 TSHR (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6291617 0.78 ADRB2 (0.31)
SCHEMBL20377072 0.78 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL4694927 0.77 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065166-A None JP disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-5336749-A Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-08-09 US disclosed
JP-H0665166-A SEPARATION OF ALPHA-@(3754/24)M-NITROPHENYL)ALKYLAMINE AND ALPHA-@(3754/24)P-NITROPHENYL)ALKYLAMINE AND PRODUCTION OF ALPHA-@(3754/24)M-AMINOPHENYL)ALKYLAMINE AND ALPHA-@(3754/24)P-AMINOPHENYL) ALKYLAMINES USING THE SAME MITSUI TOATSU CHEM INC 1994-03-08 JP disclosed
EP-0394058-B1 ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-25 EP disclosed
US-5210286-A Hydrogenation of corresponding aromatic compound, reaction with phosgene MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-11 US disclosed
US-5126426-A Catalytic hydrogenation of aromatic diamine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-30 US disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 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 (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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 ALDH1A1 1921/4885MAPT 3277/4885MEN1 395/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 ALDH1A1 1919/4885MAPT 3086/4885MEN1 362/4885

“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.