SCHEMBL16807989

SCHEMBL16807989

CCOC(=O)C(C)(c1ccc(I)cc1)C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIN1 Q13526 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL22702433 0.89 CNR2 (0.42) CNR2MEN1KMT2ATSHRABCB11
SCHEMBL18982556 0.86 CNR2 (0.44) CNR2SMN1; SMN2KDM4E
SCHEMBL18982613 0.86 ALDH1A1 (0.41) CNR2MEN1KMT2ATSHRABCB11
SCHEMBL17318022 0.86 MAPT (0.42) CNR2MEN1KMT2ACYP1A2GAA
SCHEMBL16796000 0.86 ABCB11 (0.50) CNR2MEN1KMT2ATSHRABCB11
SCHEMBL19423359 0.84 KCNN4 (0.34) CNR2
SCHEMBL16795999 0.84 KCNN4 (0.34) CNR2
SCHEMBL19423364 0.84 KCNN4 (0.34) CNR2
SCHEMBL18982849 0.80 MAPT (0.40) CNR2PPARASMN1; SMN2LMNA
SCHEMBL18982146 0.80 CYP1A2 (0.42) KMT2ACYP1A2CYP3A4GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 — — US disclosed
US-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — 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 (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-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 CNR2 1537/4885MEN1 1241/4885KMT2A 4673/4885

“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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