SCHEMBL5701769

SCHEMBL5701769

CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDH1 O75874 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL5701705 0.79 KDM4E (0.39) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL21067479 0.71 KDM4E (0.47) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL5197709 0.67 TYMP (0.38) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL7010909 0.63 PDE3B (0.35) PDE3BPDE3ASMN1; SMN2HSD17B10HTT
SCHEMBL6024307 0.63 PDE3B (0.44) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL27908278 0.60 KMT2A (0.36) HPGDHTT
SCHEMBL6024349 0.60 PDE3B (0.38) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL7012912 0.60 SMN1; SMN2 (0.38) KDM4EPDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL25587635 0.59 ALDH1A1 (0.36)
SCHEMBL9846085 0.59 POLB (0.34) KDM4EPDE3BPDE3AIDH1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073637-B1 3-(AMINO- OR AMINOALKYL)PYRIDINONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF HIV RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2006-08-02 EP claimed
US-20030125340-A1 Reverse transcriptase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENT. (FR) 2003-07-03 US claimed
US-6451822-B1 3-(Amino- or aminoalkyl)pyridinone derivatives and their use for the treatment of HIV related diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-09-17 US claimed
EP-1073637-B1 3-(AMINO- OR AMINOALKYL)PYRIDINONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF HIV RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2006-08-02 EP disclosed
US-6683079-B2 REVERSE TRANSCRIPTASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-01-27 US disclosed
US-20030125340-A1 Reverse transcriptase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENT. (FR) 2003-07-03 US disclosed
US-6451822-B1 3-(Amino- or aminoalkyl)pyridinone derivatives and their use for the treatment of HIV related diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-09-17 US disclosed
EP-1073637-A1 3-(AMINO- OR AMINOALKYL)PYRIDINONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF HIV RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-02-07 EP disclosed
WO-1999055676-A1 3-(AMINO- OR AMINOALKYL)PYRIDINONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF HIV RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-11-04 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-20030125340-A1 Reverse transcriptase inhibitors QTRT1, RTF2, POLR1A KDM4E 534/4885PDE3B 1314/4885PDE3A 1119/4885

“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.