SCHEMBL18342170

SCHEMBL18342170

OCc1csc(Nc2cccc(Br)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
PLA2G7 Q13093 2/20 0.44
ALOX5 P09917 2/20 0.43
GRM5 P41594 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
EPM2A O95278 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN9 P43378 1/20 0.42

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
SCHEMBL10464778 0.82 GAA (0.57) MEN1KMT2ANPC1MAPTGAA
SCHEMBL10464324 0.80 VCP (0.58) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL18342110 0.76 MEN1 (0.49) MEN1KMT2ANPC1PKMMAPT
SCHEMBL18342167 0.76 MAPT (0.46) MEN1KMT2ANPC1PKMMAPT
SCHEMBL18342060 0.76 CSNK2A1 (0.56) MEN1KMT2ANPC1PKMMAPT
SCHEMBL30956257 0.74 CCR4 (0.55) MEN1KMT2ANPC1PKMMAPT
SCHEMBL29274275 0.74 CCR4 (0.55) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1887057 0.73 MEN1 (0.77) MEN1KMT2ANPC1PKMMAPT
SCHEMBL18342066 0.73 KDM1A (0.55) MEN1KMT2ANPC1PKMMAPT
SCHEMBL18003087 0.73 ALDH1A1 (0.64) MEN1KMT2ANPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
CN-107922394-A 3 tetrazole radical benzene, 1,2 disulfonic acid amide derivative as metal beta lactamase restrainer 默沙东公司 2018-04-17 CN disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 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 (4 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885NPC1 860/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 433/4885KMT2A 1103/4885NPC1 952/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885NPC1 860/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 433/4885KMT2A 1103/4885NPC1 952/4885

“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.