SCHEMBL19972044

SCHEMBL19972044

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 8/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 4/20 0.42
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 1/20 0.39
ERN1 O75460 1/20 0.39
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NOS1 P29475 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
SCHEMBL1716919 0.84 TDP1 (0.64) TDP1L3MBTL1GPR35ALDH1A1MAPT
SCHEMBL9318978 0.80 TDP1 (0.50) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL793527 0.80 ALDH1A1 (0.61) TDP1L3MBTL1GPR35ALDH1A1MAPT
SCHEMBL4693020 0.79 TDP1 (0.50) TDP1L3MBTL1GPR35ALDH1A1MAPT
SCHEMBL793112 0.79 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1MAPT
SCHEMBL19972047 0.79 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL6655711 0.79 TDP1 (0.72) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL31151600 0.79 TDP1 (0.72) TDP1L3MBTL1GPR35ALDH1A1TSHR
SCHEMBL4099183 0.78 TDP1 (0.49) TDP1L3MBTL1GPR35ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117383995-A Chiral sulfinamide compound and preparation method and application thereof 贵州大学 2024-01-12 CN claimed
CN-117383995-A Chiral sulfinamide compound and preparation method and application thereof 贵州大学 2024-01-12 CN disclosed
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.