SCHEMBL172129

SCHEMBL172129

Cc1nc(=O)c(C)c(C)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
PARP1 P09874 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
GAA P10253 2/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL718209 0.75 XDH (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL9408132 0.66 MEN1 (0.51) ALDH1A1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL14129814 0.66 L3MBTL1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2GAAKDM4E
SCHEMBL8312414 0.65
SCHEMBL12102045 0.64 MAPK1 (0.55) ALDH1A1L3MBTL1MAPK1SMN1; SMN2ADORA3
SCHEMBL172127 0.63 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1PARP1SMN1; SMN2
Water SCHEMBL7594637 0.63
Iodide SCHEMBL3791320 0.63
Hydrochloric Acid SCHEMBL9663276 0.63
SCHEMBL1439539 0.62 ALDH1A1 (0.36) ALDH1A1L3MBTL1PARP1ADORA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
WO-2020239107-A1 TETRACYCLIC COMPOUNDS AS CDC7 INHIBITORS 正大天晴药业集团股份有限公司 2020-12-03 WO disclosed
US-9708272-B2 Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2017-07-18 US disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 US disclosed
EP-2213674-B1 PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS CHONGQING PHARM RES INST CO (CN) 2012-03-07 EP disclosed
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED Chongquing Pharmaceutical Research Institute Co. ltd (CN) 2010-12-02 US disclosed
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED Chongquing Pharmaceutical Research Institute Co. ltd (CN) 2010-12-02 US disclosed
EP-2213674-A1 PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS Chongqing Pharmaceutical Research Institute Co., Ltd. (CN) 2010-08-04 EP 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 (3 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-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885L3MBTL1 2418/4885MAPK1 3141/4885
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED SLC13A3, SLC34A3, SLC28A1 ALDH1A1 2625/4885L3MBTL1 2850/4885MAPK1 779/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885L3MBTL1 2418/4885MAPK1 3141/4885

“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.