SCHEMBL4658268

SCHEMBL4658268

CCC(C(=O)O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RORC P51449 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4657836 0.87 KMT2A (0.49) LMNAHSD17B10KDM4ENPSR1KMT2A
SCHEMBL4656404 0.85 NPSR1 (0.50) LMNAHSD17B10KDM4ENPSR1KMT2A
SCHEMBL4659390 0.85 POLB (0.49) LMNAHSD17B10KDM4ENPSR1KMT2A
SCHEMBL4369639 0.84 GAA (0.50) LMNAKDM4EGAAAKR1C3AKR1C2
SCHEMBL4369630 0.84 GAA (0.50) LMNAKDM4EGAAAKR1C3AKR1C2
SCHEMBL4658986 0.84 ALDH1A1 (0.49) LMNAKMT2AMEN1GAAAKR1C3
SCHEMBL4658229 0.83 AKR1C3 (0.46) LMNANPSR1GAAAKR1C3AKR1C2
SCHEMBL10789270 0.82 HSD17B10 (0.53) LMNAHSD17B10KMT2AMEN1GAA
SCHEMBL508752 0.81 AKR1C3 (0.47) GAAAKR1C3AKR1C2POLBMAPT
SCHEMBL4197252 0.81 CYP1A2 (0.50) KDM4EGAAAKR1C3AKR1C2MAPT

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 LMNA 1441/4885HSD17B10 1567/4885KDM4E 1603/4885

“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.