SCHEMBL31754328

SCHEMBL31754328

N[C@@H](Cc1ccncc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
SLC7A5 Q01650 3/20 0.44
CYP3A4 P08684 2/20 0.44
USP2 O75604 2/20 0.44
PKM P14618 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
RGS12 O14924 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
THPO P40225 1/20 0.44

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 SCHEMBL30461875 0.98 HSD17B10 (0.46) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL30461903 0.82 HDAC8 (0.41) KDM4EALDH1A1HDAC8
SCHEMBL30461897 0.82 HDAC8 (0.41) KDM4EALDH1A1HDAC8
SCHEMBL31000634 0.81 LOXL2 (0.51) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL31754294 0.81 LOXL2 (0.51) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL13957557 0.81 GRIA1 (0.48) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL25357761 0.79 TDP1 (0.47) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL25357768 0.79 TDP1 (0.47) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL2263341 0.79 HSD17B10 (0.49) HSD17B10SLC7A5CYP3A4USP2PKM
SCHEMBL30759485 0.77 HSD17B10 (0.47) HSD17B10SLC7A5CYP3A4USP2PKM

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS HSD17B10 4549/4885SLC7A5 308/4885CYP3A4 4761/4885

“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.