SCHEMBL22711397

SCHEMBL22711397

Brc1cscc1OCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.57
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
DDB1 Q16531 3/20 0.44
CRBN Q96SW2 3/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL23039639 0.88 HRH3 (0.55) CCR5HRH3
SCHEMBL23039631 0.88 NCF1 (0.51) CCR5HTTALDH1A1MAPTDDB1
SCHEMBL30697012 0.88 NCF1 (0.51) CCR5HTTALDH1A1MAPTDDB1
SCHEMBL22711409 0.86 HRH3 (0.57) CCR5HRH3
Hydrochloric Acid SCHEMBL22711527 0.86 KMT2A (0.48) CCR5HTTALDH1A1MAPTHRH3
SCHEMBL22711401 0.82 CYP2A13 (0.56) CCR5HTTALDH1A1MAPTNPC1
SCHEMBL30697124 0.82 CYP2A13 (0.56) CCR5HTTALDH1A1MAPTNPC1
SCHEMBL23039621 0.81 CCR5 (0.46) CCR5HTTALDH1A1MAPTHRH3
SCHEMBL29114727 0.79 HRH3 (0.46) CCR5ALDH1A1HRH3SMN1; SMN2NPC1
SCHEMBL22711492 0.79 LMNA (0.41) CCR5HTTALDH1A1SMN1; SMN2NPC1

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 CCR5 422/4885HTT 1447/4885ALDH1A1 226/4885
US-11299485-B2 Thiophene derivative and use thereof TNF, TPMT, CD47 CCR5 422/4885HTT 1447/4885ALDH1A1 226/4885

“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.