SCHEMBL6330272

SCHEMBL6330272

O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(OS(=O)(=O)O)cc2c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HPGD P15428 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
CTSB P07858 3/20 0.44
GAA P10253 2/20 0.43
CASP6 P55212 2/20 0.43
NSD2 O96028 1/20 0.43
PLCG1 P19174 1/20 0.43
DNMT1 P26358 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KMT2A Q03164 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
SCHEMBL10337685 0.79 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL93200 0.79 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL29376983 0.79 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL146864 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL11527723 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
Water SCHEMBL18832246 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL7202147 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
Water SCHEMBL5050373 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL7920625 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA
SCHEMBL341089 0.78 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CTSBGAA

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-9622959-B2 Cross-linked polymere CLARIANT INTERNATIONAL LTD. (CH) 2017-04-18 US disclosed
US-20140127147-A1 Cross-linked Polymere CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-08 US disclosed
US-20050002994-A1 Cosmetic or dermatological impregnated tissues BEIERSDORF AG (DE) 2005-01-06 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 (2 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-20140127147-A1 Cross-linked Polymere PCNA, SMC2, SMC1A ALDH1A1 1115/4885HPGD 2431/4885TDP1 929/4885
US-20050002994-A1 Cosmetic or dermatological impregnated tissues CUTA, KAT8, PWWP2B ALDH1A1 4456/4885HPGD 1747/4885TDP1 3309/4885

“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.