SCHEMBL25448604

SCHEMBL25448604

BC(=O)OCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 2/20 0.42
MAOA P21397 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 3/20 0.41
APP P05067 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 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
SCHEMBL932927 0.84 KMT2A (0.45) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL1561073 0.83 ALDH1A1 (0.45) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL147245 0.83 KMT2A (0.44) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL6453211 0.81 ALDH1A1 (0.47) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL27353978 0.81 APP (0.44) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL2511445 0.81 ALDH1A1 (0.64) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL4509522 0.81 ALDH1A1 (0.64) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL21384971 0.79 ALDH1A1 (0.46) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL18868431 0.79 ALDH1A1 (0.66) KMT2AMEN1CYP3A4MAOALMNA
SCHEMBL18868430 0.79 KMT2A (0.71) KMT2AMEN1CYP3A4MAOALMNA

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-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2023-05-11 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-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE ERLIN1, ERLIN2, EZR KMT2A 4401/4885MEN1 2165/4885CYP3A4 146/4885

“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.