SCHEMBL3341504

SCHEMBL3341504

O=[N+]([O-])c1cc([N+](=O)[O-])c(CCl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.46
VCAM1 P19320 6/20 0.42
PGK1 P00558 1/20 0.41
GRIA2 P42262 1/20 0.41
GPR35 Q9HC97 2/20 0.41
SNCA P37840 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MERTK Q12866 2/20 0.39

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
SCHEMBL8461057 0.85 TSHR (0.59) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL29790171 0.84 TSHR (0.50) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL1626023 0.84 TSHR (0.50) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL359519 0.80 TSHR (0.60) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL10254398 0.79 ALDH1A1 (0.51) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL9282606 0.78 TSHR (0.42) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL2211091 0.78 CYP1A2 (0.57) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL9180125 0.78 TSHR (0.62) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL10759125 0.76 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4GPR35SNCA
SCHEMBL18138428 0.76 TSHR (0.47) TSHRALDH1A1MAPK1CYP3A4VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431747-B2 Process for the preparation of monomers for polybenzimidazole materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-30 US disclosed
US-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 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-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials PBRM1, PUF60, PARG TSHR 4626/4885ALDH1A1 2542/4885MAPK1 789/4885

“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.