SCHEMBL17622906

SCHEMBL17622906

COc1ccc(OC)c(NC(=O)CSc2ncccc2C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
HPGD P15428 3/20 1.00
HTT P42858 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
RGS12 O14924 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
SHMT2 P34897 1/20 0.61
TSHR P16473 3/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.56

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
SCHEMBL17622466 0.89 KMT2A (0.80) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL16264706 0.89 MEN1 (0.80) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622716 0.89 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622900 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622778 0.80 MEN1 (0.66) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL21219817 0.79 L3MBTL1 (0.67) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622775 0.78 TDP1 (0.67) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17603618 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622902 0.78 MEN1 (0.64) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL17622706 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDHTT

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 ALDH1A1 1549/4885MEN1 621/4885KMT2A 3401/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 ALDH1A1 1549/4885MEN1 621/4885KMT2A 3401/4885

“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.