SCHEMBL3594375

SCHEMBL3594375

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc4[nH]ccc34)n(CC(=O)N(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.34
NR1I2 O75469 2/20 0.34
SCN9A Q15858 1/20 0.34
BCHE P06276 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3594377 0.91 CREBBP (0.36) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL2901499 0.78 ALDH1A1 (0.42) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL1173483 0.78 ALDH1A1 (0.42) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL5437037 0.77 PRKCA (0.50) PRKCAMMP12HPGDMAPTNR1I2
SCHEMBL2902364 0.77 ALDH1A1 (0.41) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL5435132 0.77 PRKCA (0.49) PRKCAMMP12CYP3A4CYP2C9CYP2C19
SCHEMBL2910856 0.76 SCN9A (0.38) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL2909716 0.76 ALDH1A1 (0.40) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL12869602 0.76 GRIN1 (0.41) PRKCAMMP12HPGDALDH1A1NPSR1
SCHEMBL2902500 0.76 CYP3A4 (0.45) HPGDALDH1A1NPSR1KDM4ELMNA

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 2745/4885MMP12 3050/4885OPRM1 215/4885

“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.