SCHEMBL19780120

SCHEMBL19780120

N#CCc1cc(F)c2ncc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.40
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAP4K1 Q92918 1/20 0.31
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
SCHEMBL19780614 0.82 KDM4E (0.36) KLKB1KDM4ETDP1MAP4K1
SCHEMBL21657214 0.82 KLKB1 (0.41) KLKB1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL19780610 0.82 KDM4E (0.36) KDM4ETDP1
SCHEMBL17442547 0.81 KLKB1 (0.35) KLKB1
SCHEMBL29940462 0.80 KLKB1 (0.34) KLKB1MAP4K1
SCHEMBL17442573 0.80 KLKB1 (0.36) KLKB1KDM4E
SCHEMBL29302757 0.80 KLKB1 (0.34) KLKB1MAP4K1
SCHEMBL19780593 0.75 KLKB1 (0.37) KLKB1
SCHEMBL21177281 0.74 SIRT1 (0.38) KLKB1MAP4K1
SCHEMBL21177539 0.73 KLKB1 (0.40) 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 6 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
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO 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 (4 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885KDM4E 798/4885TDP1 3331/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885KDM4E 798/4885TDP1 3331/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885KDM4E 798/4885TDP1 3331/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885KDM4E 798/4885TDP1 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.