SCHEMBL3281908

SCHEMBL3281908

CCc1cc(C#N)c(C=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
DAO P14920 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP2A6 P11509 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
SCHEMBL3284250 0.76 HAVCR2 (0.36) PDE3BPDE3AMEN1ALDH1A1MAPT
SCHEMBL5358324 0.75 DAO (0.38) DAOALDH1A1MAPTKMT2ARXFP1
SCHEMBL29953382 0.73 UPP1 (0.34) CYP2A6
SCHEMBL31752002 0.70 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ARXFP1
SCHEMBL3281512 0.70 KDM4E (0.39) MAPK1PDE3BPDE3ADAOMEN1
SCHEMBL3281603 0.67 KDM4E (0.44) MEN1ALDH1A1MAPTKMT2ARXFP1
SCHEMBL24453539 0.67 NR3C1 (0.45) DAOMEN1KMT2A
SCHEMBL9176826 0.65 MAP2K1 (0.38) PDE3BPDE3ADAOALDH1A1MAPT
Silver SCHEMBL5798509 0.64 FBP1 (0.36) DAOMEN1ALDH1A1MAPTKMT2A
SCHEMBL5830668 0.64 NPSR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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 (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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 MAPK1 853/4885PDE3B 879/4885PDE3A 509/4885

“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.