SCHEMBL15057794

SCHEMBL15057794

Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.65
GPBAR1 Q8TDU6 2/20 0.45
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
NR2F2 P24468 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR2 P25090 8/20 0.38
PROKR1 Q8TCW9 8/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GALR3 O60755 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL24162679 0.90 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL3613853 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL26719555 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL2071589 0.81 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19CYP2C9HTT
SCHEMBL3599058 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL3609801 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL3598992 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL3610004 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL3610005 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1
SCHEMBL876603 0.80 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19CYP2C9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
CN-104220429-A Non-systemic tgr5 agonists ARDELYX INC 2014-12-17 CN disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR SMN1; SMN2 582/4885CYP1A2 2266/4885CYP2C19 3239/4885

“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.