SCHEMBL14937684

SCHEMBL14937684

c1ccc(OCCOc2ccc3cccnc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
PDE10A Q9Y233 1/20 0.61
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
NCF1 P14598 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR4A2 P43354 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46

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
SCHEMBL23412137 0.93 CYP3A4 (0.68) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL23412206 0.88 TDP1 (0.62) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL23412184 0.88 TDP1 (0.62) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL23412382 0.88 TDP1 (0.62) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL23412359 0.88 TDP1 (0.62) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL10090158 0.85 CYP3A4 (0.59) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL9180940 0.83 CYP3A4 (0.60) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL14464160 0.83 CYP3A4 (0.60) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL2025375 0.83 CYP3A4 (0.60) CYP3A4PDE10AMAPTRAB9ATDP1
SCHEMBL24272398 0.83 CYP3A4 (0.60) CYP3A4PDE10AMAPTRAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877752-B2 4(1H)-quinolones having antimalarial activity with reduced chemical resistance UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-04 US disclosed
US-8877752-B2 4(1H)-quinolones having antimalarial activity with reduced chemical resistance UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-04 US disclosed
US-20130123258-A1 4(1H)-Quinolones Having Antimalarial Activity With Reduced Chemical Resistance NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-16 US disclosed
US-20130123258-A1 4(1H)-Quinolones Having Antimalarial Activity With Reduced Chemical Resistance NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-16 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-20130123258-A1 4(1H)-Quinolones Having Antimalarial Activity With Reduced Chemical Resistance CDC25C, ABCC1, CDC25A CYP3A4 46/4885PDE10A 2688/4885MAPT 3255/4885

“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.