SCHEMBL17148992

SCHEMBL17148992

Brc1cccc(-c2nc(C3CC3)no2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
USP7 Q93009 2/20 0.48
CA12 O43570 1/20 0.47
TP53 P04637 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL22347562 0.83 POLB (0.59) POLBCASP3SENP7SENP6NPC1
SCHEMBL17148989 0.77 CNR2 (0.47) POLBCASP3SENP7SENP6NPC1
SCHEMBL17148995 0.77 POLB (0.49) POLBCASP3SENP7SENP6NPC1
SCHEMBL14305118 0.75 POLB (1.00) POLBCASP3SENP7SENP6NPC1
SCHEMBL17148993 0.75 CA12 (0.61) CASP3SENP7SENP6NPC1RAB9A
SCHEMBL2807348 0.75 RAB9A (0.79) POLBNPC1RAB9AGRM5SMN1; SMN2
SCHEMBL138239 0.75 NPC1 (0.59) POLBNPC1RAB9AGRM5SMN1; SMN2
SCHEMBL3128709 0.74 POLB (0.74) POLBCASP3SENP7SENP6NPC1
SCHEMBL22347416 0.74 CA1 (0.51) POLBCASP3SENP7SENP6NPC1
SCHEMBL25337057 0.73 CA1 (0.66) POLBCASP3SENP7SENP6NPC1

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 POLB 280/4885CASP3 672/4885SENP7 1050/4885

“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.