SCHEMBL21028165

SCHEMBL21028165

OCc1nc(Cc2ccc3ncc(Cl)cc3c2)no1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.41
KLKB1 P03952 7/20 0.40
MAP4K1 Q92918 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21028247 0.90 TSHR (0.44) TSHRMAPK1TDP1NOTUMKLKB1
SCHEMBL21027812 0.82 MAPT (0.47) TSHRMAPK1TDP1MAPTKLKB1
SCHEMBL19780290 0.81 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL19780503 0.80 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL6980080 0.78 MAPT (0.57) TSHRMAPK1TDP1NOTUMMAPT
SCHEMBL554212 0.78 KLKB1 (0.44) TDP1KLKB1MAP4K1
SCHEMBL21177523 0.78 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780416 0.77 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780293 0.76 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780289 0.75 KLKB1 (0.43) KLKB1MAP4K1

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-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 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 (2 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-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 TSHR 4687/4885MAPK1 1148/4885TDP1 3331/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 TSHR 4687/4885MAPK1 1148/4885TDP1 3331/4885

“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.