SCHEMBL14478864

SCHEMBL14478864

Cc1c(C(=O)N2CCCC2)cc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.64
▸ CA9 Q16790 6/20 0.64
▸ CA1 P00915 5/20 0.64
▸ PLK1 P53350 1/20 0.61
▸ CHRNA7 P36544 2/20 0.60
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 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
SCHEMBL5922320 0.99 CA2 (0.62) CA2CA9CA1PLK1CHRNA7
SCHEMBL5922371 0.90 CHRNA7 (0.72) CA2CA9CA1PLK1CHRNA7
SCHEMBL14478870 0.88 GAA (0.69) CA2CA9CA1PLK1CHRNA7
SCHEMBL5922335 0.88 CA2 (0.58) CA2CA9CA1PLK1CHRNA7
SCHEMBL18292506 0.84 CA2 (0.53) CA2CA9CA1PLK1CHRNA7
SCHEMBL2449412 0.81 PLK1 (0.73) CA2CA9CA1PLK1CHRNA7
SCHEMBL5922318 0.80 CHRNA7 (0.54) CA2CA9CA1CHRNA7TSHR
SCHEMBL5922321 0.80 CHRNA7 (0.54) CA2CA9CA1CHRNA7GAA
SCHEMBL10369631 0.80 PLK1 (0.71) CA2CA9CA1PLK1CHRNA7
SCHEMBL5922300 0.80 PLK1 (0.67) CA2CA9CA1PLK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N CA2 3156/4885CA9 3650/4885CA1 2833/4885

“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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