SCHEMBL830498

SCHEMBL830498

CC(C)[C@@H](C(=O)Nc1ccccc1)N(C)[C@@H]1N[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MTOR P42345 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
FUCA1 P04066 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL830003 0.85 MTOR (0.42) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL830535 0.81 MEN1 (0.44) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL27141238 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL27141240 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL830917 0.75 MAPT (0.35) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL830809 0.75 MAPT (0.35) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL830499 0.69 FUCA1 (0.48) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL830497 0.69 FUCA1 (0.48) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL13149431 0.69 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL30807716 0.69 MTOR (0.47) MAPTALDH1A1KMT2AMEN1RXFP1

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-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS MAPT 4393/4885ALDH1A1 36/4885KMT2A 2189/4885

“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.