SCHEMBL6731060

SCHEMBL6731060

O=C1NCC#CCCCCCCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 3/20 0.51
PARP1 P09874 2/20 0.51
PARP10 Q53GL7 2/20 0.51
PDPK1 O15530 1/20 0.51
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 3/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
MIF P14174 2/20 0.37
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37

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
SCHEMBL20076060 0.75 PARP10 (0.75) PARP11PARP1PARP10PDPK1CA12
SCHEMBL29752161 0.75 PARP10 (0.75) PARP11PARP1PARP10PDPK1CA12
SCHEMBL1894080 0.73 PARP10 (0.78) PARP11PARP1PARP10PDPK1CA12
SCHEMBL29369705 0.69 PARP10 (1.00) PARP11PARP1PARP10PDPK1CA12
SCHEMBL67710 0.69 PARP10 (1.00) PARP11PARP1PARP10PDPK1CA12
SCHEMBL18607288 0.68 MAOA (0.91) PARP11PARP1PARP10PDPK1CYP2A6
SCHEMBL18716863 0.68 MAOA (0.91) PARP11PARP1PARP10PDPK1CYP2A6
SCHEMBL4874556 0.68 MAOA (0.91) PARP11PARP1PARP10PDPK1CYP2A6
SCHEMBL29766301 0.68 MAOA (0.91) PARP11PARP1PARP10PDPK1CYP2A6
SCHEMBL4573854 0.68 MAOA (0.91) PARP11PARP1PARP10PDPK1CYP2A6

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-20040019018-A1 Tetrahydro-2H-2-aza-cyclopenta(a)inden-one or derivatives, useful for treating cancers including prostate cancer, inflammatory, autoimmune and neurological disorders including Alzheimer's disease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
WO-2001083449-A2 RIGID PYRROLIDONE MODULATORS OF PKC GEORGETOWN UNIVERSITY (US) 2001-11-08 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-20040019018-A1 Tetrahydro-2H-2-aza-cyclopenta(a)inden-one or derivatives, useful for treating cancers including prostate cancer, inflammatory, autoimmune and neurological disorders including Alzheimer's disease PRKAR2A, PRKAR2B, PRKG1 PARP11 789/4885PARP1 1116/4885PARP10 648/4885

“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.