SCHEMBL493052

SCHEMBL493052

CC(C)(C)c1ccc(-c2noc(C(=O)NCC(=O)O)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
GAA P10253 1/20 0.73
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
KLF5 Q13887 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HDAC4 P56524 1/20 0.47

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
SCHEMBL494155 0.88 SMN1; SMN2 (0.69) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL493495 0.81 KDM4E (0.70) KDM4EGAAMAPTSMN1; SMN2TP53
SCHEMBL493438 0.79 KMT2A (0.67) KDM4EMAPTKMT2A
SCHEMBL4692558 0.76 RAB9A (0.63) KDM4EMAPTSMN1; SMN2TP53LMNA
SCHEMBL493603 0.75 KMT2A (0.44) KDM4EGAAMAPTSMN1; SMN2TP53
SCHEMBL494360 0.75 TSHR (0.53) KDM4EMAPTSMN1; SMN2TP53LMNA
SCHEMBL1114429 0.73 KDM4E (0.56) KDM4EGAAMAPTSMN1; SMN2NPC1
SCHEMBL493401 0.73 ALDH1A1 (0.42) SMN1; SMN2LMNANPC1KMT2ARAB9A
SCHEMBL493024 0.73 CYP2C19 (0.47) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL30129915 0.72 MAPT (0.61) KDM4EGAAMAPTSMN1; SMN2TP53

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KDM4E 2178/4885GAA 445/4885MAPT 1653/4885

“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.