SCHEMBL5201635

SCHEMBL5201635

Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
TNF P01375 1/20 0.44
TP53 P04637 5/20 0.44
KCNK13 Q9HB14 1/20 0.44
ALDH1A1 P00352 5/20 0.43
PDE6D O43924 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 2/20 0.43
FBP1 P09467 1/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL5201984 0.86 GABRA1 (0.49) KCNK13ALDH1A1KDM4EP2RX7
SCHEMBL5203544 0.86 TLR8 (0.41) TP53KCNK13ALDH1A1MAPTSMN1; SMN2
SCHEMBL5204121 0.85 TP53 (0.44) TNFTP53KCNK13ALDH1A1MAPT
SCHEMBL5204479 0.84 MAPT (0.46) TP53KCNK13ALDH1A1MAPTSMN1; SMN2
SCHEMBL5202670 0.84 TLR8 (0.39) TP53KCNK13ALDH1A1MAPTSMN1; SMN2
SCHEMBL29829358 0.83 ALDH1A1 (0.63) ESR1TNFTP53ALDH1A1PDE6D
SCHEMBL5200958 0.82 ALDH1A1 (0.66) TNFTP53ALDH1A1PDE6DALDH2
SCHEMBL29830051 0.80 TP53 (0.60) ESR1TNFTP53ALDH1A1PDE6D
SCHEMBL5204131 0.79 TLR8 (0.38) ESR1TP53KCNK13ALDH1A1ALDH2
SCHEMBL29829695 0.78 ALDH1A1 (0.54) ESR1TNFTP53KCNK13ALDH1A1

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
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-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 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
EP-0963371-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) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 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 ESR1 2143/4885TNF 3481/4885TP53 3145/4885

“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.