SCHEMBL13058799

SCHEMBL13058799

CCc1[nH]c(C(=O)N[C@@H]2CC=C(c3nc(C)c(C(=O)O)s3)CC2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PPARD Q03181 5/20 0.34
PPARG P37231 2/20 0.34
XDH P47989 1/20 0.34
CHRM4 P08173 3/20 0.33
TOP2A P11388 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CNR1 P21554 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13002070 0.82 SMN1; SMN2 (0.34) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002076 0.81 KDM4E (0.33) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002079 0.81 TOP2A (0.37) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002080 0.81 SMN1; SMN2 (0.33) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002072 0.81 SMN1; SMN2 (0.33) PPARASMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL13002077 0.81 SMN1; SMN2 (0.33) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002082 0.80 SMN1; SMN2 (0.32) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL13002074 0.80 TOP2A (0.35) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL2822722 0.77 JAK1 (0.42) PPARARAB9ANPC1PPARDPPARG
SCHEMBL2822685 0.76 PIK3CD (0.44) SMN1; SMN2KDM4EGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PPARA 2960/4885SMN1; SMN2 4001/4885KDM4E 206/4885

“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.