SCHEMBL16236205

SCHEMBL16236205

CCOC(=O)c1cc2cccc(OC)c2n(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL17619351 0.85 MAOA (0.57) KDM4EMAPTLMNAPOLBMAOB
SCHEMBL16236070 0.78 KDM4E (0.59) KDM4EMAPTLMNASMN1; SMN2MAOB
SCHEMBL22902745 0.76 CSNK1D (0.50) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL22902724 0.76 MAPT (0.45) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL29523138 0.76 CSNK1D (0.50) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL29522713 0.76 MAPT (0.45) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL22902779 0.75 MAPT (0.44) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL22902446 0.75 MAPT (0.44) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL4510816 0.75 MAPT (0.44) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL29522789 0.75 MAPT (0.44) KDM4EMAPTLMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The United States of American, as represented by the Sec, Dept. of Health and Human Services (US) 2016-03-24 US disclosed
EP-2996691-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2016-03-23 EP disclosed
WO-2014186398-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-11-20 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 (3 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-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 KDM4E 1233/4885MAPT 4697/4885LMNA 3099/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 KDM4E 1233/4885MAPT 4697/4885LMNA 3099/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 KDM4E 1233/4885MAPT 4697/4885LMNA 3099/4885

“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.