SCHEMBL16547226

SCHEMBL16547226

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.41
▸ GAA P10253 2/20 0.38
▸ MET P08581 1/20 0.38
▸ RPA1 P27694 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL16547227 0.91 ELANE (0.44) ELANEGAAMETRPA1CYP1A2
SCHEMBL16517295 0.84 ELANE (0.51) ELANEGAARPA1CYP1A2CYP2C9
SCHEMBL16532324 0.84 ELANE (0.49) ELANEGAAMETRPA1CYP1A2
SCHEMBL16534158 0.84 ELANE (0.43) ELANEGAAMETRPA1CYP1A2
SCHEMBL16532430 0.84 MAP3K14 (0.44) ELANEGAAMETRPA1CYP1A2
SCHEMBL16534218 0.81 ELANE (0.44) ELANEGAAMETRPA1CYP1A2
SCHEMBL16532452 0.81 ELANE (0.41) ELANEGAAMETRPA1CYP1A2
SCHEMBL16532313 0.81 PDE4A (0.48) ELANEGAAMETRPA1CYP1A2
SCHEMBL16516995 0.80 ELANE (0.46) ELANEGAAMETRPA1CYP1A2
SCHEMBL16532610 0.80 ELANE (0.40) ELANEGAAMETRPA1CYP2C9

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 1695/4885MET 2694/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885GAA 1695/4885MET 2694/4885

“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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