SCHEMBL16250040

SCHEMBL16250040

CCCCOn1c(=O)c(C(=O)OC)c(O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
KDM4E B2RXH2 7/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13461639 0.90 KDM4E (0.52) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL13461591 0.89 CNR2 (0.45) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL16238692 0.83 CNR2 (0.46) CNR2CNR1KDM4EMEN1KMT2A
SCHEMBL16250068 0.81 CNR2 (0.39) CNR2KDM4ELMNAALDH1A1HTT
SCHEMBL16250041 0.81 MAPK8 (0.36) CNR2CNR1KDM4ELMNAALDH1A1
SCHEMBL13461636 0.79 MAPT (0.39) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL13461638 0.79 PTGS1 (0.42) KDM4ELMNAKDM4AKDM4CALDH1A1
SCHEMBL16250044 0.77 CNR2 (0.46) CNR2CNR1ALDH1A1HTTSMN1; SMN2
SCHEMBL1522959 0.75 KDM4E (0.53) CNR2CNR1KDM4EMEN1KMT2A
SCHEMBL1522974 0.75 ALDH1A1 (0.48) KDM4EMEN1KMT2ALMNAALDH1A1

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-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
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 (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-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 CNR2 516/4885CNR1 67/4885HTR3E 1379/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 CNR2 516/4885CNR1 67/4885HTR3E 1379/4885

“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.