SCHEMBL4773742

SCHEMBL4773742

O=c1cc(C=NO)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.60
ALDH1A1 P00352 8/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.38
GAA P10253 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL4777597 0.85 GPR35 (0.60) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4773864 0.79 HPGD (0.39) GPR35ALDH1A1MAPTSMN1; SMN2CSNK2A2
SCHEMBL4778868 0.76 GPR35 (0.63) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4250005 0.75 GPR35 (1.00) GPR35ALDH1A1LMNATDP1CSNK2A2
SCHEMBL7628829 0.74 GPR35 (0.78) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL7896346 0.73 GPR35 (0.71) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4761517 0.72 GPR35 (0.59) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL27485531 0.72 GPR35 (0.59) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL311974 0.72 CSNK2A2 (0.59) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4254530 0.71 GPR35 (0.72) GPR35ALDH1A1LMNAMAPTMEN1

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.