SCHEMBL4658227

SCHEMBL4658227

CCC(C(=O)OC)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL4656847 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTTSHRTDP1
SCHEMBL4658225 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL4659390 0.85 POLB (0.49) ALDH1A1KMT2AMAPTTDP1LMNA
SCHEMBL4658986 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTTSHRTDP1
SCHEMBL4658090 0.83 TSHR (0.47) ALDH1A1KMT2AMAPTTSHRTDP1
SCHEMBL17742882 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTTSHRTDP1
SCHEMBL11090178 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL4656404 0.77 NPSR1 (0.50) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL4657893 0.77 MAPT (0.46) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31406425 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTTSHRTDP1

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 159/4885KMT2A 3915/4885MAPT 1956/4885

“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.