SCHEMBL9449481

SCHEMBL9449481

Nc1ccc(-c2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 6/20 0.55
POLB P06746 3/20 0.55
NSD2 O96028 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
RECQL P46063 2/20 0.55
CASP6 P55212 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
APEX1 P27695 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
HSD17B10 Q99714 5/20 0.54
GNG2 P59768 2/20 0.54
GNB1 P62873 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
RAPGEF4 Q8WZA2 1/20 0.46

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
SCHEMBL1004339 0.89 HSD17B10 (0.53) ALDH1A1TDP1POLBNSD2KDM4E
Hydrochloric Acid SCHEMBL8657314 0.87 HSD17B10 (0.52) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL9357028 0.86 ALDH1A1 (0.45) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL2272811 0.86 ALDH1A1 (0.51) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL229927 0.85 RAPGEF4 (0.55) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL19391945 0.84 ALDH1A1 (0.53) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL19308001 0.83 ALDH1A1 (0.57) ALDH1A1TDP1POLBNSD2KDM4E
Ammonia Solution, Strong SCHEMBL7552565 0.83 RAPGEF4 (0.53) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL602281 0.83 RAPGEF4 (0.53) ALDH1A1TDP1POLBNSD2KDM4E
SCHEMBL4366607 0.83 RAPGEF4 (0.53) ALDH1A1TDP1POLBNSD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192063-C High-strength monoazo yellow pigments ENGELHARD CORP (US) 2005-03-09 CN claimed
CN-1402765-A High-strength monoazo yellow pigments ENGELHARD CORP (US) 2003-03-12 CN claimed
CN-118142579-A Membrane catalytic material for efficiently catalyzing aldol condensation reaction at room temperature 中国科学院理化技术研究所 2024-06-07 CN disclosed
CN-111171289-B TEMPO oxidized cellulose/PEDOT polymer and preparation method and application thereof 福建农林大学 2021-01-12 CN disclosed
CN-111171289-A TEMPO oxidized cellulose/PEDOT polymer and preparation method and application thereof 福建农林大学 2020-05-19 CN disclosed
US-20100035945-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL DAM DNA METHYLTRANSFERASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
CN-1192063-C High-strength monoazo yellow pigments ENGELHARD CORP (US) 2005-03-09 CN disclosed
CN-1402765-A High-strength monoazo yellow pigments ENGELHARD CORP (US) 2003-03-12 CN disclosed
CN-1308655-A Heat stable laked monoazo pigment compositions ENGELIARD CORP (US) 2001-08-15 CN disclosed
US-5241056-A REACTIVE MONOAZO DYESTUFFS WHICH CONTAIN ALKYLBENZENE AND CHLOROFLUORO PYRIMIDINE SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0513617-A1 Reactive dyes BAYER AG (DE) 1992-11-19 EP disclosed
US-4424152-A Metal complex dyestuffs, processes for their preparation and their use for dyeing nitrogen-containing materials BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 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-20100035945-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL DAM DNA METHYLTRANSFERASES DNMT1, DNMT3A, DNMT3B ALDH1A1 1121/4885TDP1 283/4885POLB 111/4885

“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.