SCHEMBL3548987

SCHEMBL3548987

[2H]Cc1onc(-c2ccccc2)c1C(=O)N1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.84
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
USP2 O75604 1/20 0.65
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
EPAS1 Q99814 1/20 0.60
TP53 P04637 1/20 0.57
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL3553965 0.91 TSHR (1.00) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3548423 0.90 KMT2A (0.83) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3553134 0.81 SMN1; SMN2 (0.97) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3539489 0.81 KMT2A (1.00) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3541402 0.81 TSHR (0.72) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3546099 0.78 KMT2A (0.79) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL3543236 0.76 SMN1; SMN2 (0.80) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL4817495 0.76 LMNA (0.71) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL4817503 0.76 LMNA (0.71) TSHRKMT2ASMN1; SMN2HTTUSP2
SCHEMBL13842388 0.75 TSHR (0.69) TSHRKMT2ASMN1; SMN2HTTUSP2

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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US claimed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 TSHR 2190/4885KMT2A 2389/4885SMN1; SMN2 3710/4885

“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.