SCHEMBL16236264

SCHEMBL16236264

O=C(NCc1ccc(F)cc1)c1c(O)c2cccnc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
EGLN1 Q9GZT9 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
PLA2G7 Q13093 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 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
SCHEMBL16250033 0.88 MEN1 (0.49) TDP1KMT2AMEN1RXFP1KDM4E
SCHEMBL16236933 0.86 TDP1 (0.46) TDP1KMT2AMEN1RXFP1KDM4E
SCHEMBL16236630 0.85 MEN1 (0.47) TDP1KMT2AMEN1RXFP1EGLN1
SCHEMBL5258314 0.84 TDP1 (0.56) TDP1KMT2AMEN1RXFP1EGLN1
SCHEMBL822253 0.81 FTO (0.50) KMT2AMEN1RXFP1EGLN1KDM4E
SCHEMBL3514915 0.77 KMT2A (0.58) KMT2AMEN1L3MBTL1
SCHEMBL3515033 0.76 AURKA (0.54) TDP1KMT2AMEN1RXFP1FEN1
SCHEMBL5547121 0.75 TDP1 (0.49) TDP1KMT2AMEN1RXFP1KDM4E
SCHEMBL4518985 0.74 AURKA (0.53) KMT2AMEN1FEN1KDM4EALDH1A1
SCHEMBL8852978 0.74 AURKA (0.53) FEN1KDM4EALDH1A1

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 12 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-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-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
CN-105611927-A Compounds for inhibiting drug-resistant strains of HIV-1 integrase US HEALTH (US) 2016-05-25 CN 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
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
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 TDP1 2154/4885KMT2A 1115/4885MEN1 4337/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 TDP1 2154/4885KMT2A 1115/4885MEN1 4337/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 TDP1 2154/4885KMT2A 1115/4885MEN1 4337/4885

“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.