SCHEMBL21190834

SCHEMBL21190834

Cc1cc[nH]c1C(=O)NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
GAA P10253 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM1 Q13255 1/20 0.39
P2RX7 Q99572 2/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
MPO P05164 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM5A P29375 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 1/20 0.35

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
SCHEMBL16597145 0.80 GRM1 (0.39) GRM1KLKB1KLK1
SCHEMBL26091349 0.78 ALDH1A1 (0.41) RAB9AGAAL3MBTL1TDP1P2RX7
SCHEMBL1858044 0.77
SCHEMBL21191090 0.77 GRM1 (0.38) RAB9AGRM1P2RX7MAPTKDM4E
SCHEMBL9337825 0.76 GRM1 (0.35) TDP1GRM1MAPT
SCHEMBL526663 0.76 GRM1 (0.35) RAB9AL3MBTL1GRM1ALDH1A1LMNA
SCHEMBL257684 0.76
SCHEMBL25367893 0.76 MAPT (0.39) RAB9AGAAL3MBTL1TDP1MAPT
Hydrochloric Acid SCHEMBL10436896 0.75 CCNC (0.39) TDP1GRM1KDM4EALDH1A1LMNA
SCHEMBL29042806 0.74 RAB9A (0.41) RAB9AGAAL3MBTL1TDP1MAPT

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-3741758-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-11-25 EP disclosed
US-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 RAB9A 2497/4885GAA 1678/4885L3MBTL1 3677/4885

“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.