SCHEMBL27422467

SCHEMBL27422467

NC(=O)CNNC(=O)[C@@H]1CCCN1CC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.47
CTRB1 P17538 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CYP2C19 P33261 1/20 0.41
FKBP1A P62942 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL20966406 0.84 MMEL1 (0.53) MMEL1CTRB1SPHK1NPSR1SMN1; SMN2
SCHEMBL20966402 0.84 SPHK1 (0.58) MMEL1CTRB1SPHK1SMN1; SMN2CYP2C19
SCHEMBL29208506 0.83 CTRB1 (0.60) CTRB1NPSR1KDM1ARCOR1ALDH1A1
SCHEMBL8549131 0.82 FKBP1A (0.55) MMEL1SMN1; SMN2CYP2C19FKBP1AALDH1A1
SCHEMBL14836855 0.81 MMEL1 (0.52) MMEL1CTRB1SPHK1SMN1; SMN2CYP2C19
SCHEMBL8549128 0.81 NPSR1 (0.48) MMEL1CTRB1NPSR1SMN1; SMN2FKBP1A
SCHEMBL8549125 0.81 NPSR1 (0.48) MMEL1CTRB1NPSR1SMN1; SMN2FKBP1A
SCHEMBL934366 0.80 MMEL1 (0.58) MMEL1CTRB1NPSR1FKBP1AALDH1A1
SCHEMBL2707345 0.80 MMEL1 (0.58) MMEL1CTRB1NPSR1FKBP1AALDH1A1
SCHEMBL21264915 0.80 MMEL1 (0.49) MMEL1CTRB1NPSR1SMN1; SMN2KDM1A

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-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-07-04 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-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS NHERF1, ENPP1, ATP6AP1 MMEL1 273/4885CTRB1 266/4885SPHK1 3390/4885

“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.