SCHEMBL6796824

SCHEMBL6796824

O=[N+]([O-])c1ccc(C(Cl)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CRHBP P24387 1/20 0.50
ATM Q13315 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR9 Q9NR96 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
MAPK1 P28482 2/20 0.44

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
SCHEMBL11429229 0.92 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL3695529 0.83 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL5663512 0.83 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL19334711 0.82 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL2601112 0.82 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL5827237 0.82 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL8891938 0.81 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1L3MBTL1
Nitrobenzene SCHEMBL27605012 0.81 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL1813716 0.80 CA12 (0.58) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL3258821 0.80 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AMEN1L3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 US disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 ALDH1A1 539/4885LMNA 3731/4885KMT2A 4481/4885

“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.