SCHEMBL4777597

SCHEMBL4777597

O=Cc1cc(=O)c2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.60
ALDH1A1 P00352 6/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAOA P21397 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
ERN1 O75460 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL4773742 0.85 GPR35 (0.60) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL11540656 0.80 MAOA (0.57) GPR35ALDH1A1TDP1MAOAMAPT
SCHEMBL4778868 0.79 GPR35 (0.63) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL4761517 0.75 GPR35 (0.59) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL4250005 0.75 GPR35 (1.00) GPR35ALDH1A1LMNATDP1KDM4E
SCHEMBL27485531 0.75 GPR35 (0.59) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL4773013 0.75 KDM4E (0.42) GPR35ALDH1A1TDP1MAPTKDM4E
SCHEMBL7628829 0.74 GPR35 (0.78) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL27561844 0.74 GPR35 (0.51) GPR35ALDH1A1LMNATDP1MAOA
SCHEMBL3085553 0.74 MAPT (0.62) GPR35ALDH1A1LMNATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897873-A1 A process for the preparation of nitrile compounds used as intermediates in the synthesis of cysteinyl leukotrienes antagonists Dipharma Francis S.r.l. (IT) 2008-03-12 EP claimed
US-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-02-14 US claimed
EP-1897873-A1 A process for the preparation of nitrile compounds used as intermediates in the synthesis of cysteinyl leukotrienes antagonists Dipharma Francis S.r.l. (IT) 2008-03-12 EP disclosed
US-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-02-14 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 (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-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS NOS1, REN, NOS2 GPR35 3732/4885ALDH1A1 811/4885LMNA 2213/4885

“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.