SCHEMBL16532678

SCHEMBL16532678

CCOC(=O)c1nn(-c2cccc(Br)c2)c2nc(C)ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 9/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ ADORA1 P30542 3/20 0.43
▸ MAP3K14 Q99558 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ APP P05067 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16532652 0.87 ADORA1 (0.46) ELANEALDH1A1ADORA1MAP3K14RAB9A
SCHEMBL16532689 0.86 MAP3K14 (0.46) ELANEALDH1A1ADORA1MAP3K14RAB9A
SCHEMBL16517335 0.86 MAP3K14 (0.46) ALDH1A1MAP3K14KDM4EHPGDMAPT
SCHEMBL16517101 0.85 ELANE (0.47) ELANEALDH1A1ADORA1MAP3K14RAB9A
SCHEMBL16532310 0.83 ELANE (0.56) ELANEALDH1A1ADORA1KDM4EHSD17B10
SCHEMBL16532697 0.80 ALDH1A1 (0.51) ELANEALDH1A1ADORA1KDM4EHSD17B10
SCHEMBL18673618 0.78 ELANE (0.46) ELANEALDH1A1ADORA1MAP3K14NPC1
SCHEMBL17233527 0.78 PDE4A (0.51) ELANEALDH1A1ADORA1RAB9AKDM4E
SCHEMBL16532448 0.78 ALDH1A1 (0.46) ELANEALDH1A1ADORA1MAP3K14KDM4E
SCHEMBL16516769 0.78 ALDH1A1 (0.46) ELANEALDH1A1ADORA1MAP3K14RAB9A

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 ELANE 1188/4885ALDH1A1 26/4885ADORA1 258/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885ALDH1A1 26/4885ADORA1 258/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885ALDH1A1 26/4885ADORA1 258/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885ALDH1A1 26/4885ADORA1 258/4885

“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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