SCHEMBL4659232

SCHEMBL4659232

Nc1cccc2c(N)c(Cl)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.64
ALDH1A1 P00352 5/20 0.59
TSHR P16473 4/20 0.59
CYP3A4 P08684 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KEAP1 Q14145 1/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 2/20 0.39
TTR P02766 1/20 0.39
PARP1 P09874 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL29344204 0.84 CYP1A2 (0.62) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL29936869 0.84 CYP1A2 (0.62) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL31238945 0.83 TSHR (0.41) NR4A2ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL11880529 0.83 TSHR (0.41) NR4A2ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL21770702 0.82 NR4A2 (0.64) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL5346560 0.78 NR4A2 (0.59) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL29418802 0.78 NR4A2 (1.00) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL2446500 0.78 ALDH1A1 (0.68) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL3183644 0.78 NR4A2 (1.00) NR4A2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL14876644 0.77 ALDH1A1 (0.87) NR4A2ALDH1A1TSHRCYP3A4HPGD

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 NR4A2 671/4885ALDH1A1 159/4885TSHR 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.