SCHEMBL18673582

SCHEMBL18673582

COC(=O)c1nn(-c2cccc(C)c2)c2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ ELANE P08246 9/20 0.51
▸ F2 P00734 4/20 0.51
▸ PLAU P00749 4/20 0.51
▸ CTRB1 P17538 2/20 0.45
▸ MAP3K14 Q99558 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL16516726 0.87 MAP3K14 (0.42) GAAELANEF2PLAUMAP3K14
SCHEMBL18673502 0.85 ELANE (0.65) GAAELANEF2PLAUCTRB1
SCHEMBL18673413 0.84 GAA (0.53) GAAELANEF2PLAUCTRB1
SCHEMBL18673586 0.79 GAA (0.56) GAAELANEF2PLAUCTRB1
SCHEMBL16517277 0.78 ELANE (0.43) GAAELANEF2PLAUMAP3K14
SCHEMBL16532551 0.78 ELANE (0.47) GAAELANEF2PLAUMAP3K14
SCHEMBL18673435 0.74 ELANE (0.66) ELANEF2PLAUALDH1A1SMN1; SMN2
SCHEMBL16532670 0.74 MAP3K14 (0.82) MAP3K14
SCHEMBL18673460 0.74 GAA (0.52) GAAELANEF2PLAUCTRB1
SCHEMBL16532618 0.73 MAP3K14 (0.43) GAAELANEF2PLAUCTRB1

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 2 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-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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 (1 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA GAA 1695/4885ELANE 1188/4885F2 1432/4885

“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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