SCHEMBL961624

SCHEMBL961624

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2ccc(OCC(C)=O)cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
PPARG P37231 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HDAC1 Q13547 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL961621 1.00 MCL1 (0.32) MCL1LMNAMAPTSMN1; SMN2PKM
SCHEMBL965978 0.93 KDM4E (0.32) MCL1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL965979 0.93 KDM4E (0.32) MCL1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL964970 0.91 MTNR1A (0.39) MTNR1AMTNR1BHDAC1
SCHEMBL964972 0.91 MTNR1A (0.39) MTNR1AMTNR1BHDAC1
SCHEMBL966394 0.90 PPARG (0.38) MCL1PPARGMTNR1AMTNR1B
SCHEMBL966393 0.90 PPARG (0.38) MCL1PPARGMTNR1AMTNR1B
SCHEMBL965208 0.89 PIM3 (0.34) PPARGMTNR1AMTNR1BHDAC1
SCHEMBL965210 0.89 PIM3 (0.34) PPARGMTNR1AMTNR1BHDAC1
SCHEMBL967666 0.89 MTNR1A (0.31) MTNR1AMTNR1BHDAC1

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MCL1 3194/4885LMNA 3775/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MCL1 3693/4885LMNA 3461/4885MAPT 4720/4885

“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.