SCHEMBL5202059

SCHEMBL5202059

CN(C)C(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.36
PKN1 Q16512 2/20 0.35
PKN2 Q16513 2/20 0.35
CD38 P28907 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KEAP1 Q14145 1/20 0.33

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
SCHEMBL5204220 0.87 DHODH (0.43) KMT2APTGDR2PPARGCDK1CDK4
SCHEMBL5203566 0.86 PKN1 (0.46) PKN1PKN2CD38CDK1CDK4
SCHEMBL5206750 0.85 PKN1 (0.41) ALDH1A1KMT2AKDM4EPKN1PKN2
SCHEMBL5201109 0.83 MAPT (0.35) ALDH1A1PTGDR2KDM4EPPARGPKN1
SCHEMBL5202503 0.82 GNRHR (0.35) ALDH1A1PTGDR2KDM4EPPARGPKN1
SCHEMBL5202664 0.82 ALDH1A1 (0.35) ALDH1A1KMT2APTGDR2KDM4ECDK1
SCHEMBL5205486 0.81 KCNK13 (0.36) ALDH1A1PPARGPKN1PKN2CD38
SCHEMBL5201170 0.81 TLR8 (0.43) ALDH1A1CDK1CDK4CDK2TP53
SCHEMBL5205333 0.80 KMT2A (0.36) ALDH1A1KMT2APTGDR2TP53MAPT
SCHEMBL5203544 0.80 TLR8 (0.41) ALDH1A1PTGDR2TP53MAPT

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
EP-1210336-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US HEALTH (US) 2007-04-25 EP disclosed
US-6894068-B2 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-17 US disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 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 (1 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP EED 1582/4885ALDH1A1 435/4885KMT2A 402/4885

“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.