SCHEMBL544435

SCHEMBL544435

Nc1ccc(OS(=O)(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ GPR17 Q13304 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL11625776 0.92 ALPL (0.43) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL11627382 0.86 ALPL (0.47) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL11623279 0.82 SMN1; SMN2 (0.53) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL27717231 0.82 HTT (0.42) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL543840 0.82 TUBB4A (0.44) TDP1ALDH1A1CYP3A4ALOX15P2RY2
SCHEMBL11623960 0.82 APEX1 (0.57) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL11627411 0.81 SMN1; SMN2 (0.51) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL11627076 0.80 MEN1 (0.46) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL11518080 0.80 FFAR4 (0.56) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL10656287 0.80 GPR17 (0.50) TDP1ALDH1A1MEN1POLBKMT2A

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-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 — — US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 — — 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK TDP1 4801/4885ALDH1A1 390/4885MEN1 129/4885

“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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