SCHEMBL3175162

SCHEMBL3175162

O=C(O)c1conc1-c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.60
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALPL P05186 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL10968465 0.86 GPBAR1 (0.59) GPBAR1ALDH1A1KMT2AHSD17B10LMNA
SCHEMBL4011283 0.82 TSHR (0.46) GPBAR1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL12501878 0.81 TP53 (0.50) GPBAR1ALDH1A1HSD17B10NPSR1ALPL
SCHEMBL12501726 0.81 NPC1 (0.52) GPBAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL402940 0.81 MCL1 (0.49) GPBAR1ALDH1A1KMT2AHSD17B10NPSR1
SCHEMBL16697480 0.79 GPBAR1 (0.55) GPBAR1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL1225673 0.78 PTGS2 (0.44) ALDH1A1KMT2AMEN1LMNAPTGS2
SCHEMBL27860631 0.77 ALDH1A1 (0.46) GPBAR1ALDH1A1KMT2AMEN1LMNA
SCHEMBL27934992 0.76 PTGS2 (0.43) ALDH1A1KMT2AMEN1LMNAPTGS2
SCHEMBL12501765 0.76 SCN9A (0.48) GPBAR1ALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 US disclosed
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 US disclosed
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 US disclosed
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP disclosed
US-20100022590-A1 Novel compounds BIOVITRUM AB (PUBL.) (SE) 2010-01-28 US disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 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 (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-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 GPBAR1 202/4885ALDH1A1 164/4885KMT2A 4690/4885
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 GPBAR1 191/4885ALDH1A1 1619/4885KMT2A 1919/4885

“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.