SCHEMBL14927016

SCHEMBL14927016

Cc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)nc(CN=C(N)N)c2cc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ASIC1 P78348 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.33
▸ KIF11 P52732 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ GRIN2D O15399 2/20 0.32
▸ GRIN3B O60391 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2A Q12879 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN2C Q14957 2/20 0.32
▸ GRIN3A Q8TCU5 2/20 0.32
▸ F9 P00740 2/20 0.31
▸ RXRA P19793 2/20 0.30
▸ RXRB P28702 2/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL14927018 0.93 KIF11 (0.39) ASIC1DHODHKIF11ALDH1A1MAPT
SCHEMBL14927019 0.90 CTSS (0.38) ASIC1KIF11ALDH1A1MAPTKDM4E
SCHEMBL14927020 0.89 GRIN2D (0.41) DHODHASIC3ALDH1A1MAPTKDM4E
SCHEMBL12070767 0.87 KDM4E (0.49) ASIC1DHODHALDH1A1MAPTKDM4E
SCHEMBL14927099 0.85 DHODH (0.39) ASIC1DHODHKIF11ALDH1A1MAPT
SCHEMBL14927071 0.83 CTSS (0.37) KIF11ALDH1A1MAPTKDM4ERXRA
SCHEMBL14927100 0.82 DHODH (0.35) DHODHF9CNR1
SCHEMBL12070692 0.80 KDM4E (0.47) KIF11ALDH1A1MAPTKDM4E
SCHEMBL16379006 0.79 ASIC1 (0.42) ASIC1DHODHASIC3KIF11ALDH1A1
SCHEMBL14927095 0.78 MAPT (0.43) ASIC1DHODHKIF11ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 ASIC1 1378/4885DHODH 1310/4885ASIC3 1802/4885

“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.

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