SCHEMBL19780048

SCHEMBL19780048

COC(=O)/C=C\NC(=O)Cc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
KLKB1 P03952 13/20 0.39
MAP4K1 Q92918 8/20 0.39
CSNK1D P48730 2/20 0.39
KDR P35968 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21180352 0.81 KLKB1 (0.33) SMN1; SMN2KDM4EKMT2AKLKB1CSNK1D
SCHEMBL21180353 0.81 KLKB1 (0.33) SMN1; SMN2KDM4EKMT2AKLKB1CSNK1D
SCHEMBL21190208 0.80 ALDH1A1 (0.47) SMN1; SMN2KDM4EKLKB1MAP4K1MAPT
SCHEMBL19780343 0.77 KLKB1 (0.47) KLKB1MAP4K1CYP3A4CYP2C9
SCHEMBL21190199 0.75 KLKB1 (0.41) KLKB1MAP4K1ALDH1A1
SCHEMBL21177153 0.75 KLKB1 (0.43) KMT2AKLKB1MAP4K1
SCHEMBL19779931 0.74 KLKB1 (0.44) KLKB1MAP4K1
SCHEMBL18371612 0.74 CA2 (0.46) KDM4EKMT2AKLKB1MAP4K1MAPT
SCHEMBL19780021 0.74 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780636 0.73 KLKB1 (0.47) KLKB1MAP4K1ALDH1A1

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 SMN1; SMN2 4577/4885KDM4E 798/4885KMT2A 1049/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 SMN1; SMN2 4577/4885KDM4E 798/4885KMT2A 1049/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 SMN1; SMN2 4577/4885KDM4E 798/4885KMT2A 1049/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 SMN1; SMN2 4577/4885KDM4E 798/4885KMT2A 1049/4885

“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.