SCHEMBL16784604

SCHEMBL16784604

c1ccc2c(c1)NC1CSCN21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
PTPN1 P18031 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
PARP1 P09874 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRPF1 P55201 1/20 0.32
NPC1 O15118 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
Acetic Acid SCHEMBL6476155 0.67 GAA (0.43) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL16671427 0.67 HTR2C (0.63) GAAMEN1KMT2A
SCHEMBL18032936 0.63 PARP1 (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL12491348 0.62 GAA (0.37) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL20059524 0.62 NOTUM (0.41) GAAMEN1KMT2AMAPTBRD4
SCHEMBL19054188 0.62 PTPN1 (0.34) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL21759400 0.61 MEN1 (0.39) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL20177778 0.61 KDM4E (0.36) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL28249605 0.60 GAA (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL16796866 0.60 GAA (0.36) GAAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
CN-105814047-A Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 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-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 GAA 481/4885MEN1 4558/4885KMT2A 2545/4885

“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.