SCHEMBL19780055

SCHEMBL19780055

CCOC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1Br

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
KLKB1 P03952 7/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 3/20 0.41
MAPK10 P53779 1/20 0.41
HTT P42858 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP19A1 P11511 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL19780049 0.88 NPC1 (0.67) KMT2ASMN1; SMN2LMNANPC1KLKB1
SCHEMBL19780369 0.85 KLKB1 (0.61) KMT2ASMN1; SMN2LMNANPC1KLKB1
SCHEMBL19780013 0.82 KLKB1 (0.46) KMT2ASMN1; SMN2KLKB1ALDH1A1MEN1
SCHEMBL19780039 0.78 KLKB1 (0.46) KMT2ASMN1; SMN2KLKB1ALDH1A1MEN1
SCHEMBL31564734 0.78 NPC1 (0.58) KMT2ASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL19779965 0.77 KLKB1 (0.54) KMT2ASMN1; SMN2KLKB1MAPTKDM4E
SCHEMBL19779904 0.77 KLKB1 (0.45) KMT2ASMN1; SMN2KLKB1ALDH1A1MEN1
SCHEMBL19779775 0.77 KLKB1 (0.49) KMT2ASMN1; SMN2LMNANPC1KLKB1
SCHEMBL19780366 0.77 KLKB1 (0.45) KMT2ASMN1; SMN2LMNAKLKB1ALDH1A1
SCHEMBL19780635 0.76 KLKB1 (0.44) KMT2ASMN1; SMN2LMNANPC1KLKB1

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
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
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 (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 KMT2A 1049/4885SMN1; SMN2 4577/4885LMNA 2032/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KMT2A 1049/4885SMN1; SMN2 4577/4885LMNA 2032/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KMT2A 1049/4885SMN1; SMN2 4577/4885LMNA 2032/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KMT2A 1049/4885SMN1; SMN2 4577/4885LMNA 2032/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KMT2A 1049/4885SMN1; SMN2 4577/4885LMNA 2032/4885

“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.