SCHEMBL22711458

SCHEMBL22711458

C[Si](C)(C)C#Cc1cscc1OCc1cccc(CN2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
RECQL P46063 1/20 0.45
NCF1 P14598 1/20 0.44
NOS1 P29475 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKDC P78527 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PSMB8 P28062 1/20 0.39
BRD4 O60885 1/20 0.38
PDE4B Q07343 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL30696977 1.00 HTT (0.45) HTTRECQLNCF1NOS1HPGD
SCHEMBL22711461 0.89 SMN1; SMN2 (0.43) HTTRECQLNOS1HPGDALDH1A1
SCHEMBL22711363 0.85 NCF1 (0.48) HTTRECQLNCF1NOS1HPGD
SCHEMBL30697133 0.85 NCF1 (0.48) HTTRECQLNCF1NOS1HPGD
SCHEMBL22711499 0.83 CYP2A13 (0.42) HTTRECQLKDM4EALDH1A1PDCD1
SCHEMBL30697105 0.83 CYP2A13 (0.42) HTTRECQLKDM4EALDH1A1PDCD1
SCHEMBL22711411 0.81 HTT (0.46) HTTHRH3KMT2A
SCHEMBL22711460 0.81 HRH3 (0.46) HRH3MEN1KMT2A
SCHEMBL22711408 0.80 HRH3 (0.48) HRH3MEN1KMT2A
SCHEMBL23039631 0.79 NCF1 (0.51) HTTRECQLNCF1NOS1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTT 1447/4885RECQL 3689/4885NCF1 318/4885
US-11299485-B2 Thiophene derivative and use thereof TNF, TPMT, CD47 HTT 1447/4885RECQL 3689/4885NCF1 318/4885

“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.