SCHEMBL13934652

SCHEMBL13934652

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.45
PARP1 P09874 6/20 0.43
TNKS2 Q9H2K2 1/20 0.39
TYMS P04818 2/20 0.39
MAPK1 P28482 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
GAA P10253 3/20 0.38
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL172127 0.75 ALDH1A1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL18711688 0.74 CDK4 (0.35) ALDH1A1L3MBTL1CDK4CCND1KDM4E
SCHEMBL18701513 0.74 L3MBTL1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2MAPK1KDM4E
SCHEMBL9996283 0.71 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL19503273 0.71 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL8058002 0.71 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL10865995 0.69
SCHEMBL12621292 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL19503077 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2PARP1TNKS2
SCHEMBL22587346 0.68 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1SMN1; SMN2MAPK1GAA

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-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-7488824-B2 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2009-02-10 US disclosed
US-7488824-B2 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2009-02-10 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885L3MBTL1 1901/4885SMN1; SMN2 2655/4885

“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.