SCHEMBL20531418

SCHEMBL20531418

NCc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.47
▸ MAP4K1 Q92918 1/20 0.43
▸ ADRA1D P25100 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KLK1 P06870 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
SCHEMBL20531488 0.91 KLKB1 (0.47) KLKB1MAP4K1ADRA1DPARP1HDAC6
SCHEMBL20531611 0.90 KLKB1 (0.47) KLKB1MAP4K1ADRA1DPARP1HDAC6
SCHEMBL20531494 0.86 KLKB1 (0.49) KLKB1KLK1
SCHEMBL20531539 0.83 KLKB1 (0.46) KLKB1
SCHEMBL20531491 0.83 KLKB1 (0.47) KLKB1KLK1
SCHEMBL20531497 0.83 KLKB1 (0.63) KLKB1PARP1
SCHEMBL20531617 0.83 KLKB1 (0.46) KLKB1MAP4K1PARP1
SCHEMBL20531529 0.82 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780134 0.81 KLKB1 (0.48) KLKB1HDAC6
SCHEMBL20531435 0.80 KLKB1 (0.47) KLKB1HDAC6

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
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 — — US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 — — US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 — — US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 — — US disclosed
US-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-10-18 — — 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 (5 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-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885ADRA1D 1609/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885ADRA1D 1609/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885ADRA1D 1609/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885ADRA1D 1609/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885ADRA1D 1609/4885

“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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