SCHEMBL4168949

SCHEMBL4168949

OCc1cnc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.49
LTA4H P09960 1/20 0.47
LIPE Q05469 5/20 0.44
TTR P02766 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
RHEB Q15382 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL15096443 0.84 RAB9A (0.45) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL22229496 0.82 PPARG (0.42) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL876550 0.81 RAB9A (0.60) SMN1; SMN2LMNARAB9AKMT2ASCN9A
SCHEMBL366394 0.78 NPC1 (0.43) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL30127171 0.76 SMN1; SMN2 (0.56) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL4006028 0.75 LTA4H (0.55) TSHRLTA4HTTRRHEB
SCHEMBL17069359 0.73 RORC (0.42) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL21191145 0.73 SMN1; SMN2 (0.45) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL7943182 0.73 SMN1; SMN2 (0.73) SMN1; SMN2LMNALIPERAB9AMEN1
SCHEMBL4166189 0.72 HPGD (0.44) TSHRNR1H2NR1H3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC SMN1; SMN2 4596/4885LMNA 3184/4885CYP2C9 552/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC SMN1; SMN2 4572/4885LMNA 3008/4885CYP2C9 514/4885

“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.