SCHEMBL19971993

SCHEMBL19971993

O=C(Cl)c1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
GPR35 Q9HC97 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3554236 0.86 ALDH1A1 (0.52) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL1024380 0.84 ALDH1A1 (0.64) ALDH1A1KMT2ACYP3A4ALOX15TDP1
SCHEMBL10694655 0.83 ALDH1A1 (0.57) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL7422406 0.82 KMT2A (0.65) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL3126462 0.80 CES2 (0.59) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL1644789 0.80 GPR35 (0.56) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL752917 0.80 KMT2A (0.72) ALDH1A1KMT2ATSHRTDP1HTT
SCHEMBL1291507 0.79 ALDH1A1 (0.58) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL5875894 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ATSHRCYP3A4ALOX15
SCHEMBL947293 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ATSHRCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354845-B Compound with function of resisting Fusobacterium nucleatum and application thereof 中国人民解放军海军军医大学 2025-03-07 CN disclosed
CN-116354845-A Compound with function of resisting Fusobacterium nucleatum and application thereof 中国人民解放军海军军医大学 2023-06-30 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
CN-104703963-A F-18 radiolabeled compounds for diagnosing and monitoring kidney function KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD 2015-06-10 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 ALDH1A1 544/4885KMT2A 679/4885TSHR 4030/4885

“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.