SCHEMBL17622804

SCHEMBL17622804

O=C(CSc1ncccc1C(=O)O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.66
TSHR P16473 1/20 0.65
ALDH1A1 P00352 8/20 0.64
KDM4E B2RXH2 1/20 0.63
HPGD P15428 3/20 0.60
PKM P14618 2/20 0.60
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.56
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL16264771 0.90 TDP1 (0.65) TDP1POLBTSHRALDH1A1KDM4E
SCHEMBL17622826 0.90 TDP1 (0.65) TDP1POLBTSHRALDH1A1KDM4E
SCHEMBL17622907 0.90 TDP1 (0.65) TDP1POLBTSHRALDH1A1KDM4E
SCHEMBL9659018 0.87 L3MBTL1 (0.65) TDP1POLBTSHRALDH1A1KDM4E
SCHEMBL17622805 0.86 TDP1 (0.65) TDP1POLBTSHRALDH1A1KDM4E
SCHEMBL1514827 0.86 TDP1 (0.64) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL17622908 0.84 TDP1 (0.61) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL17622776 0.83 TP53 (0.72) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL17622777 0.83 TDP1 (0.63) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL17636349 0.81 TDP1 (0.61) TDP1POLBALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000807-B1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2021-04-21 EP disclosed
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2018-07-31 US disclosed
EP-3000807-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF Institute of Microbiology and Epidemiology, Academy of Military Medical Sciences, PR China (CN) 2016-03-30 EP disclosed
US-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2016-03-24 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-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF PREP, ENGASE, ADAMTS13 TDP1 2036/4885POLB 3785/4885TSHR 982/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 TDP1 2036/4885POLB 3785/4885TSHR 982/4885

“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.