SCHEMBL7643345

SCHEMBL7643345

O=[N+]([O-])c1cccc(SSc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ PDE7A Q13946 2/20 0.46
▸ PDE7B Q9NP56 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3192750 0.89 GPR35 (0.57) GPR35TSHRSMN1; SMN2PDE7AMAPT
SCHEMBL8734150 0.86 PDE7A (0.51) SMN1; SMN2PDE7APDE7BHSP90AA1MAPT
SCHEMBL9709555 0.85 PDE7A (0.58) GPR35TSHRSMN1; SMN2PDE7APDE7B
SCHEMBL27271638 0.82 HSD17B10 (0.55) GPR35TSHRSMN1; SMN2PDE7APDE7B
SCHEMBL6930370 0.78 PDE7A (0.59) GPR35TSHRSMN1; SMN2PDE7APDE7B
SCHEMBL1713219 0.77 PDE7A (0.65) SMN1; SMN2PDE7APDE7BMAPTALDH1A1
SCHEMBL30338244 0.77 PDE7A (0.65) SMN1; SMN2PDE7APDE7BMAPTALDH1A1
SCHEMBL224666 0.76 PDE7A (0.60) GPR35TSHRSMN1; SMN2PDE7AMAPT
SCHEMBL3192742 0.75 GPR35 (0.53) GPR35TSHRSMN1; SMN2PDE7AMAPT
SCHEMBL2588026 0.75 GPR35 (0.58) GPR35TSHRSMN1; SMN2PDE7AMAPT

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-1015402-B1 Method for producing compounds containing fluorine, in particular fluorobenzaldehydes and fluorobenzonitriles CLARIANT GMBH (DE) 2002-12-04 — — EP claimed
EP-1015402-A1 METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-07-05 — — EP claimed
WO-1999011588-A1 METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-03-11 — — WO claimed
CN-108295252-B Method for preparing rabies combined vaccine 成都安特金生物技术有限公司 2020-05-01 — — CN disclosed
CN-108175855-B Rabies immunogenic conjugate 成都安特金生物技术有限公司 2020-05-01 — — CN disclosed
CN-108187038-B Rabies combined vaccine 成都安特金生物技术有限公司 2020-05-01 — — CN disclosed
US-9233921-B2 Potent poxvirus inhibitor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-12 — — US disclosed
US-20140343114-A1 Potent poxvirus inhibitor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-11-20 — — US disclosed
EP-1015402-B1 Method for producing compounds containing fluorine, in particular fluorobenzaldehydes and fluorobenzonitriles CLARIANT GMBH (DE) 2002-12-04 — — EP disclosed
EP-1015402-A1 METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-07-05 — — EP disclosed
WO-1999011588-A1 METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-03-11 — — WO disclosed
EP-0093363-B1 PROCESS FOR THE PREPARATION OF DISULPHIDES CASSELLA Aktiengesellschaft (DE) 1987-01-14 — — EP disclosed
EP-0093363-A1 Process for the preparation of disulphides CASSELLA Aktiengesellschaft (DE) 1983-11-09 — — 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-20140343114-A1 Potent poxvirus inhibitor MAVS, VAC14, GZMB GPR35 4589/4885TSHR 4492/4885SMN1; SMN2 3609/4885

“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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