SCHEMBL22711531

SCHEMBL22711531

C[Si](C)(C)C#Cc1cscc1OCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
GCK P35557 1/20 0.42
IKBKB O14920 1/20 0.39
HTR6 P50406 1/20 0.38
PRKDC P78527 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 1/20 0.37
SGMS2 Q8NHU3 1/20 0.36
SLC6A4 P31645 1/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL30697112 1.00 HTR1A (0.43) HTR1ADRD2GCKIKBKBHTR6
SCHEMBL23039614 0.85 MAPT (0.41) HTR1ADRD2GCKALDH1A1HSD17B10
SCHEMBL22711404 0.84 ABCB1 (0.37) IKBKBALDH1A1HSD17B10CYP19A1CYP11B1
SCHEMBL22711474 0.82 HTR1A (0.47) HTR1ADRD2GCKIKBKBHTR6
SCHEMBL22711440 0.79 NPC1 (0.32)
SCHEMBL23039630 0.78 NPC1 (0.39) ALDH1A1LMNAMEN1KMT2A
SCHEMBL22711514 0.78 NPC1 (0.34) POLB
SCHEMBL23039635 0.77 NPC1 (0.43) POLB
SCHEMBL23039642 0.77 SYK (0.42) HTR1ADRD2GCKALDH1A1
SCHEMBL30696982 0.77 SYK (0.42) HTR1ADRD2GCKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655685-B Thiophene derivative and use thereof 藤本株式会社 2023-11-17 CN disclosed
EP-3744719-B1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO LTD (JP) 2023-06-07 EP disclosed
US-11299485-B2 Thiophene derivative and use thereof FUJIMOTO CO., LTD. (JP) 2022-04-12 US disclosed
US-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO., LTD. (JP) 2021-03-04 US disclosed
EP-3744719-A1 THIOPHENE DERIVATIVE AND USE THEREOF Fujimoto Co., Ltd. (JP) 2020-12-02 EP disclosed
CN-111655685-A Thiophene derivative and use thereof 藤本株式会社 2020-09-11 CN 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 (2 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-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF TNF, TPMT, CD47 HTR1A 4093/4885DRD2 1516/4885GCK 3271/4885
US-11299485-B2 Thiophene derivative and use thereof TNF, TPMT, CD47 HTR1A 4093/4885DRD2 1516/4885GCK 3271/4885

“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.