SCHEMBL965844

SCHEMBL965844

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
POLB P06746 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
ALB P02768 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58

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
SCHEMBL965843 1.00 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10860972 0.91 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10860981 0.91 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12916888 0.89 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL312998 0.88 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5282151 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4713727 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4713729 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9097543 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9095968 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10POLB

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-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 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-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 KDM4E 1489/4885ALDH1A1 2853/4885HPGD 1061/4885

“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.