SCHEMBL4657134

SCHEMBL4657134

CC(CC#N)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.45
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4657930 0.82 ALDH1A1 (0.56) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL18400720 0.82 ALDH1A1 (0.55) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL4657796 0.82 ALDH1A1 (0.59) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL1665641 0.80 ALDH1A1 (0.56) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL1666014 0.80 ALDH1A1 (0.56) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL2064880 0.79 ALDH1A1 (0.58) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL26168070 0.78 ALDH1A1 (0.50) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL3932101 0.77 ALDH1A1 (0.53) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL4656956 0.76 TSHR (0.52) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL9459079 0.76 ALDH1A1 (0.55) ALDH1A1HPGDTSHRPOLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
US-6737548-B2 REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US disclosed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 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-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ALDH1A1 159/4885HPGD 532/4885TSHR 4208/4885

“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.