SCHEMBL31370002

SCHEMBL31370002

N[C@@H](Cc1cn(CCc2ccccc2)c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.61
RECQL P46063 1/20 0.61
HTR6 P50406 2/20 0.55
KMT2A Q03164 2/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CDC25A P30304 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MPO P05164 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL26008292 0.88 MAPT (0.65) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL25356185 0.88 MAPT (0.65) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL4927084 0.88 HTR6 (0.51) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL4927094 0.88 HTR6 (0.51) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL31688775 0.86 MAPT (0.64) MAPTALDH1A1RECQLKMT2ACDC25A
SCHEMBL29982103 0.86 MAPT (0.64) MAPTALDH1A1RECQLKMT2AALPI
SCHEMBL11033128 0.86 KMT2A (0.69) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL9584445 0.86 KMT2A (0.69) MAPTALDH1A1RECQLHTR6KMT2A
SCHEMBL26009218 0.85 ALDH1A1 (0.66) MAPTALDH1A1RECQLKMT2ACDC25A
SCHEMBL25360637 0.84 MAPT (0.61) MAPTALDH1A1RECQLHTR6KMT2A

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAPT 1809/4885ALDH1A1 4472/4885RECQL 4189/4885

“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.