SCHEMBL4575697

SCHEMBL4575697

O=C=Nc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.35
PLAU P00749 1/20 0.35
TSHR P16473 2/20 0.34
GPR35 Q9HC97 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10896862 0.89 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1ATMPLAU
SCHEMBL28049512 0.82 TSHR (0.50) CYP3A4TDP1ALDH1A1PLAUTSHR
SCHEMBL28309346 0.81 CYP3A4 (0.44) CYP3A4TDP1ALDH1A1PLAUTSHR
SCHEMBL14379109 0.81 ALDH1A1 (0.60) CYP3A4TDP1ALDH1A1TSHRMAPT
SCHEMBL240574 0.78 TDP1 (0.52) CYP3A4TDP1ALDH1A1ATMTSHR
SCHEMBL3496237 0.78 TDP1 (0.41) CYP3A4TDP1ALDH1A1ATMTSHR
SCHEMBL27466789 0.77 PLAU (0.45) CYP3A4TDP1ALDH1A1ATMPLAU
SCHEMBL27679749 0.76 GRIA2 (0.38) CYP3A4TDP1ALDH1A1ATMPLAU
SCHEMBL2673604 0.76 ALDH1A1 (0.33) CYP3A4TDP1ALDH1A1ATMPLAU
SCHEMBL1595410 0.75 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-7393849-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 US disclosed
US-7323457-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2008-01-29 US disclosed
US-20070208008-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. (US) 2007-09-06 US disclosed
US-20070191347-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. 2007-08-16 US disclosed
US-7223763-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2007-05-29 US disclosed
EP-1423373-B1 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMA INC (US) 2005-10-19 EP disclosed
US-20040204582-A1 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. 2004-10-14 US disclosed
US-6777577-B2 ANTICANCER AGENTS; ANTIDIABETIC AGENTS, ANTICHOLESTEROL AGENTS, CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AVENTIS PHARMACEUTICALS INC. 2004-08-17 US disclosed
EP-1423373-A2 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY Aventis Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
US-20030087832-A1 Substituted amides, sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. 2003-05-08 US disclosed
US-20030045480-A1 Method of treating hyperresorptive bone disorders ARIAD PHARMACEUTICALS, INC. 2003-03-06 US disclosed
WO-2003006444-A2 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. (US) 2003-01-23 WO disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US 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 (5 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-20070208008-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY CHUK, SRC, DSTYK CYP3A4 2665/4885TDP1 2093/4885ALDH1A1 4416/4885
US-20040204582-A1 Substituted sulfonamides and ureas useful for inhibiting kinase activity CHUK, SRC, DSTYK CYP3A4 2583/4885TDP1 1998/4885ALDH1A1 4315/4885
US-20030045480-A1 Method of treating hyperresorptive bone disorders SRC, GRB2, ACP1 CYP3A4 4718/4885TDP1 4172/4885ALDH1A1 4773/4885
US-20070191347-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY CHUK, SRC, DSTYK CYP3A4 2665/4885TDP1 2093/4885ALDH1A1 4416/4885
US-20030087832-A1 Substituted amides, sulfonamides and ureas useful for inhibiting kinase activity SRC, CHUK, DSTYK CYP3A4 2690/4885TDP1 1987/4885ALDH1A1 4274/4885

“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.