SCHEMBL16250033

SCHEMBL16250033

O=C(NCc1ccc(F)c(F)c1)c1c(O)c2cccnc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PDPK1 O15530 9/20 0.47
S1PR3 Q99500 2/20 0.45
PPARG P37231 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL16236630 0.91 MEN1 (0.47) MEN1KMT2ARXFP1TDP1PPARG
SCHEMBL16236264 0.88 TDP1 (0.58) MEN1KMT2ARXFP1TDP1ALDH1A1
SCHEMBL16236933 0.83 TDP1 (0.46) MEN1KMT2ARXFP1TDP1ALDH1A1
SCHEMBL16236331 0.79 CNR2 (0.47) MEN1KMT2AS1PR3PPARGALDH1A1
SCHEMBL822253 0.78 FTO (0.50) MEN1KMT2ARXFP1PKMKDM4E
SCHEMBL1585174 0.73 POLB (0.64) KMT2APDPK1PPARGALDH1A1POLB
SCHEMBL3515033 0.73 AURKA (0.54) MEN1KMT2ARXFP1TDP1KDM4E
SCHEMBL1585229 0.73 PPARG (0.56) KMT2APDPK1PPARGPOLB
SCHEMBL30573531 0.73 PPARG (0.56) KMT2APDPK1PPARGPOLB
SCHEMBL5258314 0.72 TDP1 (0.56) MEN1KMT2ARXFP1TDP1ALDH1A1

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 7 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-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
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 (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 MEN1 4337/4885KMT2A 1115/4885RXFP1 628/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 MEN1 4337/4885KMT2A 1115/4885RXFP1 628/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 MEN1 4337/4885KMT2A 1115/4885RXFP1 628/4885

“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.