SCHEMBL16532680

SCHEMBL16532680

CCOC(=O)c1nn(-c2cccc(Br)c2)c(N)c1S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HTT P42858 2/20 0.47
▸ ADORA1 P30542 3/20 0.46
▸ ELANE P08246 4/20 0.45
▸ MAPT P10636 3/20 0.43
▸ APP P05067 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL16532497 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16517612 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16516981 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL17920989 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16532472 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16534318 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL16517015 0.78 KMT2A (0.50) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL18039532 0.77 NPC1 (0.54) ALDH1A1KDM4EHPGDHSD17B10ELANE
SCHEMBL18987325 0.77 HTT (0.77) ALDH1A1HPGDHTTMAPT
SCHEMBL31117147 0.77 HTT (0.77) ALDH1A1HPGDHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ALDH1A1 26/4885KDM4E 2080/4885HPGD 1778/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ALDH1A1 26/4885KDM4E 2080/4885HPGD 1778/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ALDH1A1 26/4885KDM4E 2080/4885HPGD 1778/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ALDH1A1 26/4885KDM4E 2080/4885HPGD 1778/4885

“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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