SCHEMBL16547227

SCHEMBL16547227

COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(CO)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.44
▸ GAA P10253 2/20 0.39
▸ RPA1 P27694 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ MET P08581 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDE1B Q01064 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.35

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
SCHEMBL16547226 0.91 ELANE (0.41) ELANEGAARPA1F2PLAU
SCHEMBL16534158 0.85 ELANE (0.43) ELANEGAARPA1F2PLAU
SCHEMBL16532324 0.85 ELANE (0.49) ELANEGAARPA1METCYP1A2
SCHEMBL16532430 0.85 MAP3K14 (0.44) ELANEGAARPA1F2PLAU
SCHEMBL16517651 0.84 ELANE (0.53) ELANEGAARPA1F2PLAU
SCHEMBL16532452 0.82 ELANE (0.41) ELANEGAARPA1F2PLAU
SCHEMBL16532313 0.81 PDE4A (0.48) ELANEGAARPA1F2PLAU
SCHEMBL16532610 0.81 ELANE (0.40) ELANEGAARPA1METCYP2C9
SCHEMBL16534198 0.80 MAP3K14 (0.46) ELANEGAARPA1F2PLAU
SCHEMBL16532505 0.79 ELANE (0.39) ELANEGAARPA1F2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1188/4885GAA 1695/4885RPA1 3870/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885GAA 1695/4885RPA1 3870/4885

“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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