SCHEMBL25828257

SCHEMBL25828257

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCC1CCCN1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ BLVRB P30043 1/20 0.62
▸ TARBP2 Q15633 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ ABCG2 Q9UNQ0 1/20 0.62
▸ PPID Q08752 1/20 0.57
▸ CHRM4 P08173 4/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ ACKR3 P25106 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
SCHEMBL23956926 0.87 XDH (0.67) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217415 0.87 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217526 0.86 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956992 0.86 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217531 0.86 XDH (0.61) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217429 0.86 XDH (0.61) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25828265 0.86 XDH (0.61) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217422 0.85 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25828204 0.84 XDH (0.67) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956940 0.83 XDH (0.64) XDHABCC4ABCB11PGRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219908-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HEXAPHARMATEC CO., LTD. (KR) 2023-07-13 — — 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 (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-20230219908-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME WEE2, WEE1, NOTUM XDH 1995/4885ABCC4 1104/4885ABCB11 346/4885

“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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