SCHEMBL966262

SCHEMBL966262

Cc1nn(C)c(-n2cc(C)c3cccnc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.33
PANK1 Q8TE04 1/20 0.33
PANK3 Q9H999 1/20 0.33
PTGER3 P43115 2/20 0.32
HPGD P15428 4/20 0.32
ALDH1A1 P00352 5/20 0.32
HTR3A P46098 2/20 0.32
PKM P14618 1/20 0.31
SSTR4 P31391 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
RBP4 P02753 1/20 0.31
ENPP1 P22413 1/20 0.30
TSHR P16473 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
SCHEMBL966263 1.00 CFD (0.33) CFDPANK1PANK3PTGER3HPGD
SCHEMBL965278 0.92 CFD (0.33) CFDPANK1PANK3HPGDALDH1A1
SCHEMBL965276 0.92 CFD (0.33) CFDPANK1PANK3HPGDALDH1A1
SCHEMBL963300 0.86 TP53 (0.35) PTGER3HPGDALDH1A1POLB
SCHEMBL963301 0.86 TP53 (0.35) PTGER3HPGDALDH1A1POLB
SCHEMBL962093 0.86 HDAC3 (0.36) HPGDALDH1A1MAPTPOLBRECQL
SCHEMBL962095 0.86 HDAC3 (0.36) HPGDALDH1A1MAPTPOLBRECQL
SCHEMBL5112953 0.83 HDAC3 (0.35) PANK1PANK3HPGDALDH1A1TDP1
SCHEMBL4565957 0.83 HDAC3 (0.35) PANK1PANK3HPGDALDH1A1TDP1
SCHEMBL963601 0.81 ENPP3 (0.42) PTGER3ALDH1A1PKMKMT2ATDP1

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 CFD 4243/4885PANK1 1818/4885PANK3 2708/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CFD 4814/4885PANK1 1092/4885PANK3 1305/4885

“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.