SCHEMBL23569860

SCHEMBL23569860

CC(C)c1csc(CC(C)c2cccs2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL12120606 0.74 — —
SCHEMBL19336060 0.72 ALOX5 (0.33) ALOX5
SCHEMBL22600284 0.72 TSHR (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL26169633 0.70 LMNA (0.35) HPGDHTTLMNAALOX5TSHR
SCHEMBL94688 0.68 — —
SCHEMBL12311962 0.68 — —
SCHEMBL10141583 0.68 DAO (0.44) HPGDHTTLMNAALOX12SMN1; SMN2
SCHEMBL24925636 0.68 ALOX5 (0.32) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22304261 0.67 ESR1 (0.35) KCNH2
SCHEMBL23386437 0.67 RAB9A (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-17 — — US disclosed
US-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS ST JUDE CHILDRENS RES HOSPITAL (US) 2021-06-24 — — US 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-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS BRDT, BRD4, BRD3 CYP3A4 3869/4885CYP2D6 3949/4885SLC6A2 4229/4885
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors BRDT, BRD4, BRD3 CYP3A4 3869/4885CYP2D6 3949/4885SLC6A2 4229/4885

“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.

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