SCHEMBL314555

SCHEMBL314555

C[C@H]1CNc2ccc(Cl)cc2-n2c(-c3ccc(Cl)cc3Cl)nnc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
POLB P06746 1/20 0.39
P2RX7 Q99572 2/20 0.39
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
CRHR1 P34998 1/20 0.35
BRD4 O60885 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
SCHEMBL314553 1.00 HSD11B1 (0.46) HSD11B1POLBP2RX7KMT2AUSP2
SCHEMBL314554 1.00 HSD11B1 (0.46) HSD11B1POLBP2RX7KMT2AUSP2
SCHEMBL315208 0.88 HSD11B1 (0.37) HSD11B1P2RX7KMT2AALDH1A1LMNA
SCHEMBL315207 0.88 HSD11B1 (0.37) HSD11B1P2RX7KMT2AALDH1A1LMNA
SCHEMBL314816 0.88 HSD11B1 (0.37) HSD11B1P2RX7KMT2AALDH1A1LMNA
SCHEMBL316031 0.86 MAPK10 (0.35) HSD11B1HTTBRD4
SCHEMBL316030 0.86 MAPK10 (0.35) HSD11B1HTTBRD4
SCHEMBL316029 0.86 MAPK10 (0.35) HSD11B1HTTBRD4
SCHEMBL313656 0.85 HSD11B1 (0.41) HSD11B1ALDH1A1HPGDLMNAHTT
SCHEMBL313657 0.85 HSD11B1 (0.41) HSD11B1ALDH1A1HPGDLMNAHTT

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
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 HSD11B1 1123/4885POLB 2837/4885P2RX7 3204/4885

“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.