SCHEMBL2185916

SCHEMBL2185916

COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
POLB P06746 7/20 0.70
GAA P10253 6/20 0.70
GFER P55789 2/20 0.70
GALK1 P51570 1/20 0.70
HKDC1 Q2TB90 1/20 0.70
DYRK1A Q13627 8/20 0.61
ATM Q13315 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
MAPT P10636 7/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 3/20 0.56
PLIN1 O60240 2/20 0.56
PLIN5 Q00G26 2/20 0.56
ABHD5 Q8WTS1 2/20 0.56
PABPC1 P11940 1/20 0.56
ERO1A Q96HE7 1/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.53

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
SCHEMBL2185917 1.00 KMT2A (0.70) KMT2AMEN1POLBGAAGFER
SCHEMBL14444416 0.90 KMT2A (0.62) KMT2AMEN1POLBGAAGFER
SCHEMBL2184453 0.79 DYRK1A (0.84) KMT2AMEN1POLBGAAGFER
SCHEMBL2184451 0.79 DYRK1A (0.84) KMT2AMEN1POLBGAAGFER
SCHEMBL28302105 0.76 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER
SCHEMBL18420224 0.74 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER
SCHEMBL18844753 0.74 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER
SCHEMBL18420223 0.74 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER
SCHEMBL3760714 0.70 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER
SCHEMBL3760719 0.70 DYRK1A (1.00) KMT2AMEN1POLBGAAGFER

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 KMT2A 400/4885MEN1 1211/4885POLB 2460/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A KMT2A 400/4885MEN1 1211/4885POLB 2460/4885

“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.