SCHEMBL4687803

SCHEMBL4687803

O=C(O)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.78
SRD5A2 P31213 3/20 0.70
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PLA2G4B P0C869 1/20 0.58
POLB P06746 1/20 0.58
CES1 P23141 2/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
LTA4H P09960 1/20 0.55
PLA2G2A P14555 1/20 0.55
CES2 O00748 1/20 0.55
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
GSK3B P49841 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53

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
SCHEMBL9137849 0.91 SRD5A2 (0.75) TDP1SRD5A2MEN1KMT2APLA2G4B
4-Nitrobenzoic Acid SCHEMBL43476 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2APOLB
Terephthalic Acid SCHEMBL28023943 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2APOLB
SCHEMBL8094425 0.87 SRD5A2 (0.67) TDP1SRD5A2POLBCES1CA1
SCHEMBL8094198 0.87 SRD5A2 (0.67) TDP1SRD5A2POLBCES1CA1
SCHEMBL9018930 0.87 SRD5A2 (0.67) TDP1SRD5A2POLBCES1CA1
SCHEMBL8095914 0.87 SRD5A2 (0.67) TDP1SRD5A2POLBCES1CA1
4-Nitrobenzoic Acid SCHEMBL17332065 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2APOLB
4-Nitrobenzoic Acid SCHEMBL11331124 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2APOLB
4-Nitrobenzoic Acid SCHEMBL1566327 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2APOLB

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
EP-0902018-B1 2-(Arylphenyl)amino-imidazoline derivatives HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 CN disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 CN disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed
US-4171976-A Homopolymerization inhibition of photographic hardeners EASTMAN KODAK COMPANY (US) 1979-10-23 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 TDP1 2963/4885SRD5A2 638/4885MEN1 4692/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R TDP1 3471/4885SRD5A2 1101/4885MEN1 1657/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 TDP1 3302/4885SRD5A2 861/4885MEN1 1906/4885

“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.