SCHEMBL23957002

SCHEMBL23957002

CCN(CC)CCNC(=O)c1sc(-c2ccc(O)c(C#N)c2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ XDH P47989 7/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ BLVRB P30043 1/20 0.45
▸ TARBP2 Q15633 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ EGLN1 Q9GZT9 2/20 0.45
▸ PPID Q08752 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ F11 P03951 1/20 0.40

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 SCHEMBL29217420 0.99 XDH (0.44) NPC1HPGDXDHABCC4ABCB11
SCHEMBL23956948 0.90 XDH (0.46) NPC1HPGDXDHABCC4ABCB11
Hydrochloric Acid SCHEMBL29217418 0.89 XDH (0.46) NPC1HPGDXDHABCC4ABCB11
SCHEMBL29217432 0.88 PPID (0.49) NPC1HPGDXDHABCC4ABCB11
Hydrochloric Acid SCHEMBL25263331 0.87 PPID (0.49) NPC1HPGDXDHABCC4ABCB11
SCHEMBL25828324 0.86 XDH (0.54) NPC1HPGDXDHABCC4ABCB11
SCHEMBL25828169 0.84 XDH (0.69) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23957007 0.83 HPGD (0.51) NPC1HPGDEGLN1MEN1KMT2A
Hydrochloric Acid SCHEMBL29217433 0.83 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23957016 0.82 XDH (0.52) NPC1HPGDXDHABCC4ABCB11

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-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
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 NPC1 727/4885HPGD 2144/4885XDH 1995/4885

“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.

Send feedback