SCHEMBL26403103

SCHEMBL26403103

Cc1ccc(C(=O)CCl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
EGLN1 Q9GZT9 1/20 0.43
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2643085 0.82 TDP1 (0.48) XIAPBIRC2TDP1RAB9AMAPT
SCHEMBL12569960 0.81 TDP1 (0.43) XIAPBIRC2TDP1RAB9AMAPT
SCHEMBL30518645 0.81 GSK3B (0.52) XIAPBIRC2TDP1RAB9AMAPT
SCHEMBL2071336 0.81 GSK3B (0.52) XIAPBIRC2TDP1RAB9AMAPT
Bromide SCHEMBL7477106 0.79 GSK3B (0.50) XIAPBIRC2TDP1RAB9AMAPT
SCHEMBL17819955 0.79 GABRA1 (0.47) XIAPBIRC2TDP1RAB9AMAPT
SCHEMBL9823916 0.78 MAOB (0.57) TDP1EGLN1ALDH1A1GSK3B
SCHEMBL30983702 0.78 MAOB (0.57) TDP1EGLN1ALDH1A1GSK3B
SCHEMBL12291731 0.78 MAPT (0.46) TDP1RAB9AMAPTNPC1NFKB1
SCHEMBL9179830 0.78 RAB9A (0.47) XIAPBIRC2TDP1RAB9AMAPT

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-20250206703-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL MERCK SHARP & DOHME LLC (US) 2025-06-26 US disclosed
WO-2023192170-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL MERCK SHARP & DOHME LLC (US) 2023-10-05 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-20250206703-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL ADH1C, ADH1A, CYP2S1 XIAP 3525/4885BIRC2 1472/4885TDP1 3391/4885

“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.