SCHEMBL961987

SCHEMBL961987

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NR3C1 P04150 1/20 0.34
PDE10A Q9Y233 2/20 0.33
PDE2A O00408 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL963829 0.86 ALDH1A1 (0.34) POLBNR3C1PDE10AALDH1A1KDM4E
SCHEMBL963832 0.86 ALDH1A1 (0.34) POLBNR3C1PDE10AALDH1A1KDM4E
SCHEMBL965692 0.86 ALDH1A1 (0.42) POLBNR3C1ALDH1A1KDM4ECYP1A2
SCHEMBL965690 0.86 ALDH1A1 (0.42) POLBNR3C1ALDH1A1KDM4ECYP1A2
SCHEMBL966311 0.85 SMN1; SMN2 (0.33) NR3C1PDE10ACYP1A2CYP2C9CYP2C19
SCHEMBL962683 0.85 HTT (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2HTT
SCHEMBL963124 0.83 ENPP3 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL963547 0.83 SMN1; SMN2 (0.41) NR3C1KDM4ELMNACYP1A2CYP2C9
SCHEMBL962984 0.82 POLB (0.36) POLBNR3C1ALDH1A1KDM4EGRIN1
SCHEMBL962985 0.82 POLB (0.36) POLBNR3C1ALDH1A1KDM4EGRIN1

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 5 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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 POLB 3524/4885NR3C1 250/4885PDE10A 730/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885NR3C1 62/4885PDE10A 494/4885

“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.