SCHEMBL1735102

SCHEMBL1735102

Cc1cc(Br)cc2nc(-c3ccc(N)cn3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 9/20 0.43
CEPT1 Q9Y6K0 3/20 0.40
NUDT1 P36639 1/20 0.37
SMN1; SMN2 Q16637 8/20 0.36
TP53 P04637 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
CETP P11597 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 8/20 0.34
KDM4E B2RXH2 7/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL1733888 0.82 CEPT1 (0.45) RAB9ANPC1CEPT1SMN1; SMN2TP53
SCHEMBL1736085 0.81 CEPT1 (0.43) RAB9ANPC1CEPT1CETP
SCHEMBL1733889 0.81 ESR1 (0.33) RAB9ANPC1CEPT1SMN1; SMN2TP53
SCHEMBL1733864 0.81 NPC1 (0.53) RAB9ANPC1CEPT1NUDT1SMN1; SMN2
SCHEMBL29030361 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL30493519 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL1733936 0.75 CEPT1 (0.58) CEPT1SMN1; SMN2TP53CETPMAPT
SCHEMBL25955977 0.73 NPC1 (0.33) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL19922356 0.72 NUDT1 (0.68) RAB9ANPC1CEPT1NUDT1CETP
Hydrochloric Acid SCHEMBL30511228 0.72 NPC1 (0.33) RAB9ANPC1SMN1; SMN2TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 RAB9A 3929/4885NPC1 6/4885CEPT1 91/4885

“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.