SCHEMBL4530631

SCHEMBL4530631

CCCc1c(C#N)c(N)n(-c2ccccc2Cl)c1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 8/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
KDM4E B2RXH2 4/20 0.42
PDE4B Q07343 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4531554 0.88 ALDH1A1 (0.48) ALDH1A1HPGDLMNAGAAKMT2A
SCHEMBL4764325 0.84 L3MBTL1 (0.39) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL4521261 0.77 ALDH1A1 (0.52) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL4518839 0.76 SMN1; SMN2 (0.47) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL4891790 0.74 ALDH1A1 (0.41) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL29832095 0.72 ALDH1A1 (0.41) ALDH1A1HPGDLMNAGAAKMT2A
SCHEMBL4218652 0.72 KDM4E (0.71) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL28800164 0.70 PDE4B (0.55) ALDH1A1HPGDLMNAGAAKMT2A
SCHEMBL4520363 0.70 ALDH1A1 (0.53) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL4523252 0.70 HTT (0.52) ALDH1A1HPGDLMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
US-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors MERCK PATENT GESELLSCHAFT (DE) 2005-03-17 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-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors PDE5A, PDE3B, PDE4A L3MBTL1 2407/4885ALDH1A1 1713/4885HPGD 991/4885

“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.