SCHEMBL7979284

SCHEMBL7979284

C[C@H](Oc1ccc(C(N)=O)cc1Br)c1nnc(-c2ccccc2Cl)n1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.45
BRD4 O60885 1/20 0.41
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL7984073 0.91 HSD11B1 (0.44) HSD11B1BRD4PDE2APDE10AMAPT
SCHEMBL7984076 0.86 HSD11B1 (0.47) HSD11B1BRD4
SCHEMBL7977558 0.85 HSD11B1 (0.49) HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL7988091 0.85 HSD11B1 (0.43) HSD11B1BRD4PDE2APDE10AMAPT
SCHEMBL12671008 0.80 HSD11B1 (0.46) HSD11B1ALDH1A1
SCHEMBL7978418 0.80 HSD11B1 (0.47) HSD11B1BRD4
SCHEMBL1417576 0.80 HSD11B1 (0.47) HSD11B1BRD4
SCHEMBL7967520 0.80 HSD11B1 (0.42) HSD11B1PDE2APDE10AMAPTLMNA
SCHEMBL7977555 0.77 HSD11B1 (0.49) HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL12671004 0.76 HSD11B1 (0.46) HSD11B1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885BRD4 1594/4885PDE2A 1318/4885

“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.