SCHEMBL4658231

SCHEMBL4658231

CC(C)c1ccc([N+](=O)[O-])c(CCCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.44
CYP1A2 P05177 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
USP5 P45974 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
GRIA2 P42262 1/20 0.38
MAPT P10636 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
PDK1 Q15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4656912 0.89 ALDH1A1 (0.40) FBP1CYP1A2MEN1KMT2ATDP1
SCHEMBL4658226 0.86 ALDH1A1 (0.46) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL4657894 0.84 ALDH1A1 (0.52) CYP1A2MEN1KMT2ATDP1ALDH1A1
SCHEMBL4658987 0.82 NPC1 (0.49) FBP1CYP1A2MEN1KMT2ATDP1
SCHEMBL4658079 0.80 ALDH1A1 (0.41) CYP1A2MEN1KMT2ATDP1ALDH1A1
SCHEMBL30435068 0.79 ACLY (0.49) FBP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL4658271 0.79 ACLY (0.49) FBP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL28447451 0.79 CYP1A2 (0.47) FBP1CYP1A2MEN1KMT2ATDP1
SCHEMBL28444987 0.78 POLB (0.52) FBP1CYP1A2TDP1ALDH1A1MAPT
SCHEMBL12439214 0.77 USP5 (0.44) CYP1A2USP5POLB

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 5 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
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN 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 FBP1 1686/4885CYP1A2 437/4885MEN1 2558/4885

“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.