SCHEMBL8534839

SCHEMBL8534839

O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.65
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ GAA P10253 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HSPB1 P04792 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ S1PR4 O95977 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22069562 0.91 PDE7A (0.74) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10962798 0.86 PDE7A (0.63) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL29364713 0.84 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11160178 0.84 HSPB1 (0.55) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL38981 0.84 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL1702412 0.84 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL28057303 0.83 PDE7A (0.67) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10858973 0.82 TDP1 (0.51) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10564929 0.82 HSPB1 (0.73) PDE7AMEN1KMT2AHSPB1ALDH1A1
SCHEMBL31287820 0.82 HSPB1 (0.73) PDE7AMEN1KMT2AHSPB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656963-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 — — US disclosed
EP-2925726-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
US-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 — — US disclosed
EP-2925726-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 — — EP disclosed
WO-2014078608-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 — — WO disclosed
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 — — EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 — — WO disclosed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 — — US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 — — US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 — — US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 — — 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-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 PDE7A 618/4885MEN1 3897/4885KMT2A 3484/4885

“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.

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