SCHEMBL4656744

SCHEMBL4656744

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.51
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL4657142 0.84 ALDH1A1 (0.49) VCAM1HSD17B10MAPTKMT2ALMNA
SCHEMBL4658078 0.83 ALDH1A1 (0.40) VCAM1NPSR1MAPTKMT2AMEN1
SCHEMBL2817587 0.81 VCAM1 (0.55) VCAM1HSD17B10MAPTKMT2AMEN1
SCHEMBL5035528 0.79 VCAM1 (0.57) VCAM1HSD17B10MAPTKMT2AMEN1
SCHEMBL5050017 0.75 ALDH1A1 (0.45) HSD17B10KDM4EMAPTKMT2AMEN1
SCHEMBL17125223 0.75 HSD17B10 (0.60) VCAM1HSD17B10NPSR1KMT2AMEN1
SCHEMBL4658268 0.74 LMNA (0.48) HSD17B10NPSR1KDM4EMAPTKMT2A
SCHEMBL4657724 0.74 ALDH1A1 (0.48) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4657836 0.73 KMT2A (0.49) HSD17B10NPSR1KDM4EMAPTKMT2A
SCHEMBL19862412 0.72 HSD17B10 (0.56) VCAM1HSD17B10NPSR1KDM4EMAPT

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 VCAM1 362/4885HSD17B10 1567/4885NPSR1 3676/4885

“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.