SCHEMBL19680981

SCHEMBL19680981

Bc1ccc(N(c2ccccc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccccc4)c4ccc(B)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL18194391 0.90 HTR6 (0.59) HTR6ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL16181728 0.90 HTR6 (0.59) HTR6ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL10066151 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2AMEN1CRHBP
SCHEMBL14156867 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2AMEN1CRHBP
SCHEMBL29335666 0.82 HTR6 (0.56) HTR6ALDH1A1L3MBTL1KMT2AMEN1
Water SCHEMBL27843296 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2AMEN1CRHBP
SCHEMBL18194407 0.81 HTR6 (0.54) HTR6ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21291365 0.80 HTR6 (0.52) HTR6ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21627142 0.78 ALDH1A1 (0.52) HTR6ALDH1A1KMT2AMEN1KDM4E
SCHEMBL16714180 0.78 HTR2A (0.51) HTR6ALDH1A1L3MBTL1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10388888-B2 Light emitting electrochemical cells and compounds UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2019-08-20 — — US disclosed
US-20190214576-A9 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2019-07-11 — — US disclosed
US-20170352818-A1 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS UNIV COURT UNIV ST ANDREWS (GB) 2017-12-07 — — 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 (3 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-10388888-B2 Light emitting electrochemical cells and compounds MAP1LC3C, TRPC1, HLCS HTR6 1949/4885ALDH1A1 365/4885L3MBTL1 867/4885
US-20170352818-A1 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS MAP1LC3C, TRPC1, HLCS HTR6 1949/4885ALDH1A1 365/4885L3MBTL1 867/4885
US-20190214576-A9 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS MAP1LC3C, TRPC1, HLCS HTR6 1949/4885ALDH1A1 365/4885L3MBTL1 867/4885

“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.

Send feedback