SCHEMBL3533607

SCHEMBL3533607

Cc1ccccc1-c1cc(NC(=O)C(C)C)cc2c1CCNC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CD274 Q9NZQ7 1/20 0.41
NUDT1 P36639 1/20 0.40
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 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
SCHEMBL168488 0.88 KMT2A (0.41) KMT2APDK2ALDH1A1KDM4EGLA
SCHEMBL3528315 0.78 NOTUM (0.43) KMT2APDK2ALDH1A1MAPTRAB9A
SCHEMBL3527784 0.75 CDK4 (0.44) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL3524858 0.74 PDK2 (0.42) KMT2APDK2RAB9ASMN1; SMN2NPC1
SCHEMBL12545679 0.73 KMT2A (0.60) KMT2AALDH1A1KDM4EGLA
SCHEMBL14904835 0.71 CD274 (0.56) CD274HTR7
SCHEMBL30020645 0.68 KMT2A (0.43) KMT2AALDH1A1KDM4EGLAMAPT
SCHEMBL12545626 0.67 KMT2A (0.67) KMT2AALDH1A1KDM4EGLAMEN1
SCHEMBL169287 0.67 NOTUM (0.42) KMT2APDK2ALDH1A1KDM4EMEN1
SCHEMBL13833744 0.65 APEX1 (0.61) KMT2AKDM4EMEN1MAPTRAB9A

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-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 KMT2A 3252/4885CD274 601/4885NUDT1 814/4885

“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.