SCHEMBL17148993

SCHEMBL17148993

Brc1cccc(-c2noc(C3CC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HSD11B1 P28845 1/20 0.53
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOA P21397 1/20 0.47

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
SCHEMBL16635966 0.82 CA12 (0.65) CA12CA1CA2CA9CASP3
SCHEMBL29176859 0.82 CA12 (0.61) CA12CA1CA2CA9CASP3
SCHEMBL30817781 0.82 CA12 (0.61) CA12CA1CA2CA9CASP3
SCHEMBL19399259 0.82 GRM5 (0.63) CA12CA1CA2CA9CASP3
SCHEMBL12377807 0.82 CASP3 (0.86) CA12CA1CA2CA9CASP3
SCHEMBL12478358 0.81 RAB9A (0.85) CA12CA1CA2CA9CASP3
SCHEMBL8236561 0.79 NR1H4 (0.69) CA12CA1CA2CA9CASP3
SCHEMBL60282 0.78 CA12 (0.61) CA12CA1CA2CA9CASP3
SCHEMBL29176845 0.77 CASP3 (0.65) CA12CA1CA2CA9CASP3
SCHEMBL30817779 0.77 CASP3 (0.65) CA12CA1CA2CA9CASP3

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-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 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-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CA12 1341/4885CA1 427/4885CA2 426/4885

“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.