SCHEMBL2182227

SCHEMBL2182227

CCCCNC(=O)c1cc2nc(-c3ccc(OCC)cc3)cc(C)n2n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
KDM4E B2RXH2 9/20 0.70
HPGD P15428 6/20 0.70
POLB P06746 5/20 0.70
MAPT P10636 4/20 0.70
AHR P35869 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TP53 P04637 4/20 0.68
HSD17B10 Q99714 3/20 0.56
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL3291896 0.83 KDM4E (0.81) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4211257 0.82 POLB (0.79) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4211253 0.82 KDM4E (0.66) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL1718003 0.78 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4215105 0.77 HPGD (0.71) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL1718833 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4199515 0.76 HPGD (0.68) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4208955 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL1718698 0.72 KDM4E (0.77) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL25970343 0.72 KDM4E (1.00) ALDH1A1KDM4EHPGDPOLBMAPT

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-9949980-B2 Drugs to prevent HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 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 (2 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-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A ALDH1A1 458/4885KDM4E 101/4885HPGD 188/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A ALDH1A1 458/4885KDM4E 101/4885HPGD 188/4885

“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.