SCHEMBL493401

SCHEMBL493401

Cc1cc(C)c(-c2noc(C(=O)NCC(=O)O)n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GSK3B P49841 1/20 0.39
APEX1 P27695 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL493785 0.85 CYP2C19 (0.41) RAB9ASMN1; SMN2LMNAGSK3BKMT2A
SCHEMBL493446 0.79 ALDH1A1 (0.47) ALDH1A1LMNASCN10ATSHR
SCHEMBL493603 0.78 KMT2A (0.44) SMN1; SMN2GSK3BPOLBKMT2ATSHR
SCHEMBL493104 0.78 POLB (0.46) GSK3BPOLBKMT2A
SCHEMBL493024 0.76 CYP2C19 (0.47) ALDH1A1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL493438 0.74 KMT2A (0.67) POLBKMT2A
SCHEMBL493052 0.73 KDM4E (0.73) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL11556690 0.73 TSHR (0.44) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL493192 0.72 NPC1 (0.56) ALDH1A1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL492888 0.72 SHMT1 (0.48) ALDH1A1RAB9ASMN1; SMN2GSK3BKMT2A

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 ALDH1A1 1349/4885RAB9A 2004/4885SMN1; SMN2 1729/4885

“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.