SCHEMBL23956940

SCHEMBL23956940

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ PDE4A P27815 1/20 0.64
▸ BLVRB P30043 1/20 0.64
▸ TARBP2 Q15633 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ PPID Q08752 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ CD274 Q9NZQ7 2/20 0.43

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
Hydrochloric Acid SCHEMBL29217530 0.99 XDH (0.63) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956926 0.93 XDH (0.67) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217526 0.92 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956992 0.92 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217422 0.92 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25828281 0.87 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956950 0.87 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956924 0.85 TSHR (0.49) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL29217430 0.85 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217421 0.85 TSHR (0.48) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9

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 3 patents. 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
EP-4140989-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Hexapharmatec Co., Ltd. (KR) 2023-03-01 — — EP disclosed
WO-2021215624-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME (주)헥사파마텍 (KR) 2021-10-28 — — WO 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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