SCHEMBL974217

SCHEMBL974217

O=C(O)N1CCN(c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
GAA P10253 3/20 0.39
ME3 Q16798 8/20 0.39
ME2 P23368 6/20 0.39
ME1 P48163 6/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DRD4 P21917 1/20 0.36
PLA2G1B P04054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL1861484 0.82 HSD11B1 (0.52) HSD11B1GAABRD4KDM4EMAPT
SCHEMBL3664800 0.82 HSD11B1 (0.56) HSD11B1KMT2AMEN1NPC1RAB9A
SCHEMBL3660276 0.81 HSD11B1 (0.47) HSD11B1GAAKMT2AMEN1NPC1
SCHEMBL3662166 0.81 ALDH1A1 (0.55) HSD11B1USP2ALDH1A1
SCHEMBL20899628 0.80 BRD4 (0.49) KMT2AMEN1NPC1RAB9ABRD4
SCHEMBL3657790 0.80 HSD11B1 (0.52) HSD11B1ME3NPC1RAB9AUSP2
SCHEMBL9982392 0.80 KDM4E (0.52) HSD11B1NPC1RAB9AKDM4EUSP2
SCHEMBL3660269 0.79 HSD11B1 (0.46) HSD11B1KMT2AMEN1NPC1RAB9A
SCHEMBL3662713 0.78 HSD11B1 (0.45) HSD11B1KMT2AMEN1NPC1RAB9A
SCHEMBL975783 0.77 HSD11B1 (0.59) HSD11B1GAAKMT2AMEN1NPC1

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-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT HSD11B1 4293/4885GAA 1427/4885ME3 174/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885GAA 353/4885ME3 60/4885

“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.