SCHEMBL5201984

SCHEMBL5201984

Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.49
GABRA5 P31644 4/20 0.49
GRIN1 Q05586 4/20 0.44
GRIN2B Q13224 4/20 0.44
KCNK13 Q9HB14 1/20 0.43
TLR7 Q9NYK1 2/20 0.40
CYP11B2 P19099 2/20 0.40
GNRHR P30968 1/20 0.40
PKM P14618 1/20 0.40
P2RX7 Q99572 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5201635 0.86 ESR1 (0.46) KCNK13P2RX7KDM4EALDH1A1
SCHEMBL5203544 0.81 TLR8 (0.41) KCNK13GNRHRPKMALDH1A1
SCHEMBL29996045 0.79 KCNK13 (0.48) GABRA1GABRA5GRIN1GRIN2BKCNK13
SCHEMBL26921956 0.79 KCNK13 (0.48) GABRA1GABRA5GRIN1GRIN2BKCNK13
SCHEMBL5202670 0.79 TLR8 (0.39) KCNK13GNRHRALDH1A1
SCHEMBL5201108 0.79 CYP11B2 (0.50) KCNK13TLR7CYP11B2KDM4E
SCHEMBL5204479 0.77 MAPT (0.46) KCNK13PKMALDH1A1
SCHEMBL29995644 0.77 KCNK13 (0.61) GABRA1GABRA5KCNK13TLR7CYP11B2
SCHEMBL26921332 0.77 KCNK13 (0.61) GABRA1GABRA5KCNK13TLR7CYP11B2
SCHEMBL29995628 0.76 KCNK13 (0.42) GABRA1GABRA5GRIN1GRIN2BKCNK13

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 5 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

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 GABRA1 2791/4885GABRA5 2482/4885GRIN1 3004/4885

“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.