SCHEMBL31042467

SCHEMBL31042467

C[C@@H](O)c1cc(Cl)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 3/20 0.38
PDE2A O00408 1/20 0.38
ALOX15 P16050 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL3119255 1.00 MEN1 (0.40) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL16166567 1.00 MEN1 (0.40) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL26239587 0.83 HTT (0.44) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL30917700 0.83 HTT (0.44) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL6742837 0.83 HTT (0.44) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL1345908 0.83 HTT (0.44) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL14268018 0.83 GABRA1 (0.46) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL31498780 0.83 GABRA1 (0.46) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL28765431 0.81 HTT (0.41) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL16961979 0.79 HTT (0.39) MEN1KMT2AHTTMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2026-05-28 US disclosed
US-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2025-03-27 US disclosed
EP-4450497-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF Shanghai Yidian Pharmaceutical Technology Development Co., Ltd (CN) 2024-10-23 EP disclosed
CN-118475575-A Peptidyl nitrile compound and application thereof 上海壹典医药科技开发有限公司 2024-08-09 CN 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 (2 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-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF CTSC, CTSL, CTRL MEN1 2152/4885KMT2A 4482/4885HTT 1002/4885
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF JAK1, CTSZ, CTSL MEN1 3993/4885KMT2A 1443/4885HTT 2895/4885

“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.