SCHEMBL6030609

SCHEMBL6030609

COC(=O)[C@H](CCC#N)N=C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
AAK1 Q2M2I8 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
ESRRB O95718 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
MIF P14174 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL11127938 0.88 KMT2A (0.43) KMT2ASMN1; SMN2AAK1CYP1A2CYP2D6
SCHEMBL11127941 0.88 KMT2A (0.43) KMT2ASMN1; SMN2AAK1CYP1A2CYP2D6
SCHEMBL11114111 0.88 AAK1 (0.50) KMT2ASMN1; SMN2AAK1CYP1A2CYP2D6
SCHEMBL8125424 0.81 AAK1 (0.48) KMT2ASMN1; SMN2AAK1CYP1A2CYP2D6
SCHEMBL8136302 0.81 AAK1 (0.48) KMT2ASMN1; SMN2AAK1CYP1A2CYP2D6
SCHEMBL3247050 0.76 AAK1 (0.49) KMT2ASMN1; SMN2AAK1MAPTPOLB
SCHEMBL6031731 0.76 KMT2A (0.43) KMT2ASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL25166096 0.75 AAK1 (0.50) KMT2AAAK1CYP1A2CYP2D6MAPT
SCHEMBL11315574 0.74 MEN1 (0.42) KMT2ASMN1; SMN2AAK1MAPTPOLB
SCHEMBL11112454 0.73 AAK1 (0.46) SMN1; SMN2AAK1CYP1A2CYP2D6HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135790-A1 Process for the preparation of an alpha-amino carbonyl compound DSM IP ASSETS B.V. (NL) 2006-06-22 US disclosed
EP-1599441-A1 PROCESS FOR THE PREPARATION OF AN ALPHA-AMINO CARBONYL COMPOUND DSM IP Assets B.V. (NL) 2005-11-30 EP disclosed
WO-2004078702-A1 PROCESS FOR THE PREPARATION OF AN α-AMINO CARBONYL COMPOUND DSM IP ASSETS B.V. (NL) 2004-09-16 WO 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-20060135790-A1 Process for the preparation of an alpha-amino carbonyl compound PAM, GRHPR, DAO KMT2A 1992/4885SMN1; SMN2 3583/4885AAK1 2912/4885

“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.