SCHEMBL3281275

SCHEMBL3281275

COC(=O)c1[nH]c(C)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KDM4E B2RXH2 11/20 0.43
MAPT P10636 7/20 0.43
RXFP1 Q9HBX9 3/20 0.43
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL21101595 0.83 KDM4E (0.55) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL3281406 0.80 KDM4E (0.41) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL3281603 0.79 KDM4E (0.44) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL23923776 0.76 ALDH1A1 (0.43) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL9039632 0.74 KDM4E (0.44) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL15970755 0.72 XDH (0.43) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL16240346 0.71 LMNA (0.42) GAAKDM4EMAPTALDH1A1KMT2A
SCHEMBL31330174 0.70 GAA (0.42) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL10746820 0.69 KDM4E (0.53) GAAKDM4EMAPTRXFP1ALDH1A1
SCHEMBL10746996 0.69 KDM4E (0.74) GAAKDM4EMAPTRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 561/4885KDM4E 3380/4885MAPT 3699/4885

“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.