SCHEMBL17622775

SCHEMBL17622775

COc1cc(Cl)cc(NC(=O)CSc2ncccc2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
TP53 P04637 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
POLB P06746 2/20 0.66
ALDH1A1 P00352 6/20 0.64
HPGD P15428 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 1/20 0.55
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.52
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52
PKM P14618 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL1514827 0.89 TDP1 (0.64) TDP1TP53SMN1; SMN2POLBALDH1A1
SCHEMBL17622466 0.84 KMT2A (0.80) TDP1TP53SMN1; SMN2POLBALDH1A1
SCHEMBL17622805 0.83 TDP1 (0.65) TDP1TP53POLBALDH1A1HPGD
SCHEMBL16264771 0.81 TDP1 (0.65) TDP1SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL16264706 0.80 MEN1 (0.80) TDP1TP53SMN1; SMN2POLBALDH1A1
SCHEMBL17603619 0.80 MEN1 (0.45) TDP1TP53SMN1; SMN2POLBALDH1A1
SCHEMBL17603597 0.79 MEN1 (0.44) TDP1TP53SMN1; SMN2POLBALDH1A1
SCHEMBL17622804 0.79 TDP1 (0.67) TDP1SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL17622906 0.78 ALDH1A1 (1.00) TDP1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7465822 0.78 ALDH1A1 (0.60) TDP1TP53SMN1; SMN2POLBALDH1A1

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 2036/4885TP53 4399/4885SMN1; SMN2 1053/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 TDP1 2036/4885TP53 4399/4885SMN1; SMN2 1053/4885

“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.