SCHEMBL16795995

SCHEMBL16795995

COC(=O)C(C)(Br)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
XBP1 P17861 1/20 0.47
KCNN4 O15554 4/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL11838241 0.84 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL27565557 0.82 ESR1 (0.46) MAPTKCNN4ALDH1A1HPGD
SCHEMBL19459242 0.82 KMT2A (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL186517 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2126365 0.81 POLB (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL21480073 0.81 MAPT (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4510818 0.81 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL31612944 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL31612949 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1682976 0.80 KCNN4 (0.64) MEN1KMT2AMAPTMAPK1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
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
EP-3079700-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 EP 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 SMN1; SMN2 691/4885RAB9A 512/4885NPC1 979/4885

“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.