SCHEMBL6693601

SCHEMBL6693601

Nc1nc(C(=O)CCl)cs1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GSK3B P49841 7/20 0.39
KDM4E B2RXH2 1/20 0.39
NOS1 P29475 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL4683220 0.82 ALDH1A1 (0.53) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL2642436 0.81 ALDH1A1 (0.60) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL8880291 0.81 ALDH1A1 (0.51) ALDH1A1MEN1NPC1MAPTRAB9A
Bromide SCHEMBL9297985 0.79 ALDH1A1 (0.50) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13995798 0.78 GSK3B (0.44) ALDH1A1GSK3BKDM4E
SCHEMBL28329584 0.78 ALDH1A1 (0.53) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL27704272 0.78
SCHEMBL27662308 0.77 ALDH1A1 (0.55) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL4687160 0.77 ALDH1A1 (0.55) ALDH1A1MEN1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL11260646 0.76 ALDH1A1 (0.54) ALDH1A1MEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242863-A1 Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors MIAT S.P.A. (IT) 2004-12-02 US claimed
JP-58222076-A None JP disclosed
JP-59204179-A None JP disclosed
US-20040242863-A1 Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors MIAT S.P.A. (IT) 2004-12-02 US disclosed
US-4563534-A Process for producing 2-(2-aminothiazol-4-yl)glyoxylic acid derivative or a salt thereof, and intermediates therefor and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1986-01-07 US disclosed
JP-S59204179-A PREPARATION OF (2-AMINOTHIAZOL-4-YL)GLYOXYLIC ACID DERIVATIVE OR ITS SALT TOYAMA CHEM CO LTD 1984-11-19 JP disclosed
JP-S58222076-A 2-AMINOTHIAZOLE DERIVATIVE TOYAMA CHEM CO LTD 1983-12-23 JP 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-20040242863-A1 Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors PCMT1, CYP2S1, DAO ALDH1A1 1991/4885MEN1 2745/4885NPC1 3182/4885

“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.