SCHEMBL862887

SCHEMBL862887

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MAN2A1 Q16706 1/20 0.41
MAN1B1 Q9UKM7 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
GBA1 P04062 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL863183 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830499 0.86 FUCA1 (0.48) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830497 0.86 FUCA1 (0.48) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830004 0.86 MEN1 (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL863107 0.84 CAPN1 (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830918 0.80 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830536 0.78 MEN1 (0.44) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL830537 0.78 MEN1 (0.44) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL12640496 0.74 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL12310908 0.72 MAPT (0.56) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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 SMN1; SMN2 3478/4885MEN1 1182/4885KMT2A 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.