SCHEMBL17148987

SCHEMBL17148987

Fc1ccc(-c2nnco2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.60
TSHR P16473 1/20 0.57
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL31243663 0.81 NOTUM (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL26129289 0.81 NOTUM (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL30578696 0.76 NOTUM (0.65) NOTUMRAB9AALDH1A1HPGDMAPK1
SCHEMBL8007634 0.76 NOTUM (0.60) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL22325375 0.76 NOTUM (0.60) NOTUMTSHRNPC1RAB9AALDH1A1
SCHEMBL1459174 0.76 TSHR (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL30221689 0.76 TSHR (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL21776971 0.76 NOTUM (1.00) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL17694561 0.74 NOTUM (0.78) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL1194538 0.74 NOTUM (0.64) NOTUMTSHRNPC1RAB9AALDH1A1

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 NOTUM 1404/4885TSHR 3481/4885NPC1 285/4885

“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.