SCHEMBL16264706

SCHEMBL16264706

COc1ccc(Cl)cc1NC(=O)CSc1ncccc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
ALDH1A1 P00352 4/20 0.80
HPGD P15428 3/20 0.80
TDP1 Q9NUW8 1/20 0.70
CREBBP Q92793 1/20 0.57
MAPT P10636 5/20 0.56
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RGS12 O14924 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL17622900 0.91 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL17622902 0.89 MEN1 (0.64) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL17622906 0.89 ALDH1A1 (1.00) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL21219817 0.88 L3MBTL1 (0.67) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL7457921 0.88 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL17622716 0.88 ALDH1A1 (0.80) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL20425995 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL16264710 0.87 ALDH1A1 (0.61) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL17622904 0.86 ALDH1A1 (0.59) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL7465822 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1HPGDTDP1

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
EP-3483145-B1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2023-10-25 EP disclosed
EP-3483145-B1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2023-10-25 EP disclosed
EP-3000807-B1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2021-04-21 EP disclosed
US-10981873-B2 Nicotinic acid or isonicotinic acid compound and use thereof ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2021-04-20 US disclosed
US-20190241522-A1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2019-08-08 US disclosed
EP-3483145-A1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF Academy of Military Medical Sciences (CN) 2019-05-15 EP disclosed
EP-3483145-A1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF Academy of Military Medical Sciences (CN) 2019-05-15 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
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
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
WO-2014187291-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国人民解放军军事医学科学院微生物流行病研究所 (CN) 2014-11-27 WO 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 (4 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 MEN1 621/4885KMT2A 3401/4885ALDH1A1 1549/4885
US-10981873-B2 Nicotinic acid or isonicotinic acid compound and use thereof NAPRT, NAMPT, ENGASE MEN1 1555/4885KMT2A 4226/4885ALDH1A1 1457/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 MEN1 621/4885KMT2A 3401/4885ALDH1A1 1549/4885
US-20190241522-A1 NICOTINIC ACID OR ISONICOTINIC ACID COMPOUND AND USE THEREOF NAPRT, NAMPT, ENGASE MEN1 1555/4885KMT2A 4226/4885ALDH1A1 1457/4885

“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.