SCHEMBL21794368

SCHEMBL21794368

COC(=O)c1cccc2nc(-c3ccc(N)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
CETP P11597 3/20 0.58
ESR2 Q92731 4/20 0.57
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ATM Q13315 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR3A P46098 4/20 0.46
TOP2A P11388 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44

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
SCHEMBL205602 0.88 CETP (0.61) DHODHCETPESR2RAB9AMAPT
SCHEMBL9126988 0.88 DHODH (0.70) DHODHCETPESR2RAB9AMAPT
SCHEMBL24871288 0.88 CETP (0.58) DHODHCETPESR2RAB9AMAPT
SCHEMBL2957776 0.87 DHODH (0.58) DHODHCETPESR2RAB9AMAPT
SCHEMBL2957208 0.87 CETP (0.60) DHODHCETPESR2RAB9AMAPT
SCHEMBL2959887 0.87 HTR3A (0.58) DHODHCETPESR2RAB9AMAPT
SCHEMBL204097 0.86 DHODH (0.60) DHODHCETPESR2RAB9AMAPT
SCHEMBL204884 0.86 CETP (0.56) DHODHCETPESR2RAB9AMAPT
SCHEMBL21776841 0.85 DHODH (0.58) DHODHCETPESR2RAB9AMAPT
SCHEMBL3920472 0.84 CETP (0.55) DHODHCETPESR2RAB9AMAPT

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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 US disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS AHR, ARNT, AIPL1 DHODH 609/4885CETP 4019/4885ESR2 920/4885

“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.