SCHEMBL4509153

SCHEMBL4509153

O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.48
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ AR P10275 1/20 0.40
▸ VCAM1 P19320 5/20 0.39
▸ FGFR4 P22455 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL27261746 0.81 ALDH1A1 (0.41) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL29449833 0.79 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL3294774 0.79 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL3309493 0.77 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL3550072 0.77 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL9871485 0.77 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL672105 0.77 TDP1 (0.59) TDP1TSHRALDH1A1TXNRD1TXNRD3
SCHEMBL30946523 0.77 TDP1 (0.59) TDP1TSHRALDH1A1TXNRD1TXNRD3
SCHEMBL4728834 0.76 HPGD (0.46) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL2145586 0.75 TDP1 (0.69) TDP1TSHRALDH1A1MAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 — — 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TDP1 1668/4885TSHR 957/4885ALDH1A1 2990/4885

“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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