SCHEMBL4022996

SCHEMBL4022996

O=C(O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
ATM Q13315 1/20 0.51
PTGS2 P35354 3/20 0.48
MAPT P10636 2/20 0.46
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK2 P24941 3/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
CCNE1 P24864 1/20 0.43
FAAH O00519 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL11084830 0.88 MAPT (0.46) KMT2AMEN1ATMPTGS2MAPT
SCHEMBL5829385 0.85 SRC (0.54) KMT2AMEN1PTGS2MAPTL3MBTL1
Pirazolac SCHEMBL153631 0.81 KDM4E (0.51) KMT2AMEN1ATMPTGS2CDK2
SCHEMBL12869756 0.80 PTGS2 (0.49) KMT2AMEN1ATMPTGS2MAPT
SCHEMBL11080583 0.80 KDM4E (0.49) KMT2AMEN1PTGS2MAPTRAB9A
Pirazolac SCHEMBL10952997 0.80 KDM4E (0.50) KMT2AMEN1ATMPTGS2CDK2
SCHEMBL10876346 0.79 RXRA (0.47) KMT2AMEN1ATMPTGS2CDK2
SCHEMBL10879414 0.79 PTGS2 (0.44) KMT2AMEN1ATMPTGS2MAPT
SCHEMBL10952988 0.78 PTGS2 (0.43) KMT2AMEN1ATMPTGS2MAPT
Hydrochloric Acid SCHEMBL10948538 0.78 RXRA (0.47) KMT2AMEN1ATMPTGS2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154999-B1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX SA (FR) 2009-04-15 EP claimed
EP-1363628-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2003-11-26 EP claimed
US-20030171393-A1 Drugs for sex dysfunctions NICOX S.A. (FR) 2003-09-11 US claimed
CN-1342147-A Nitrooxyderivatives having anti-inflammatory, analgesic and antithrombotic activity NICOX SA (FR) 2002-03-27 CN claimed
WO-2002011706-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2002-02-14 WO claimed
EP-1154999-B1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX SA (FR) 2009-04-15 EP disclosed
US-20030203899-A1 Drugs for incontinence NICOX S.A. (FR) 2003-10-30 US disclosed
US-20030171393-A1 Drugs for sex dysfunctions NICOX S.A. (FR) 2003-09-11 US disclosed
US-6613784-B1 Cyclooxygenase inhibitors such as 2-acetyloxybenzoic acid 6-(nitroxymethyl)-2-methylpyridinyl ester hydrochloride, having good kinetics, solubility and efficiency; nontoxic NICOX S.A. (FR) 2003-09-02 US disclosed
EP-1154999-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2001-11-21 EP disclosed
WO-2000051988-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2000-09-08 WO disclosed
US-4952702-A Process for the preparation of (1,4-diaryl-pyrazol-3-yl)-acetic acids SEUREF A.G. (LI) 1990-08-28 US disclosed
EP-0349919-A2 Process for the preparation of (1,4-diaryl-pyrazol-3-yl)-acetic acids SEUREF A.G. (LI) 1990-01-10 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 (2 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-20030171393-A1 Drugs for sex dysfunctions SRD5A1, SRD5A2, XDH KMT2A 3142/4885MEN1 3582/4885ATM 2541/4885
US-20030203899-A1 Drugs for incontinence PDE3A, NOS1, PDE3B KMT2A 4301/4885MEN1 4367/4885ATM 3239/4885

“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.