SCHEMBL19972047

SCHEMBL19972047

O=C(Cl)c1c(I)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 6/20 0.42
TSHR P16473 5/20 0.42
PARP1 P09874 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PHGDH O43175 1/20 0.39
ERN1 O75460 1/20 0.39
S100A4 P26447 1/20 0.38

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
SCHEMBL3328954 0.87 TDP1 (0.56) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL7678865 0.85 TDP1 (0.66) TDP1L3MBTL1GPR35TSHRPARP1
SCHEMBL9318978 0.80 TDP1 (0.50) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL793527 0.80 ALDH1A1 (0.61) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL28199199 0.79 L3MBTL1 (0.50) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL793112 0.79 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL6655711 0.79 TDP1 (0.72) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL19972044 0.79 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL31151600 0.79 TDP1 (0.72) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL16749890 0.78 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 TDP1 2382/4885L3MBTL1 2406/4885GPR35 3461/4885

“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.