SCHEMBL12671007

SCHEMBL12671007

C[C@H](Oc1ccc(C#N)cc1Cl)c1nnc(-c2ccccc2Cl)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.46
AR P10275 1/20 0.44
ICMT O60725 1/20 0.40
PGR P06401 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12671008 0.91 HSD11B1 (0.46) HSD11B1ARICMTPGRCYP2C19
SCHEMBL12670998 0.88 HSD11B1 (0.49) HSD11B1AR
SCHEMBL1417868 0.88 HSD11B1 (0.49) HSD11B1AR
SCHEMBL7977555 0.84 HSD11B1 (0.49) HSD11B1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL12671009 0.83 HSD11B1 (0.44) HSD11B1PGRCYP2C19FNTAFNTB
SCHEMBL7984073 0.79 HSD11B1 (0.44) HSD11B1LMNAMAPTTSHR
SCHEMBL12671016 0.79 HSD11B1 (0.45) HSD11B1PGRCYP2C19FNTAFNTB
SCHEMBL12671003 0.77 HSD11B1 (0.47) HSD11B1ICMT
SCHEMBL7977558 0.77 HSD11B1 (0.49) HSD11B1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL12671010 0.76 HSD11B1 (0.49) HSD11B1

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-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

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 1/4885AR 867/4885ICMT 2089/4885

“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.