SCHEMBL3554810

SCHEMBL3554810

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.72
ALDH1A1 P00352 4/20 0.70
MAPT P10636 3/20 0.70
GAA P10253 2/20 0.70
LMNA P02545 1/20 0.70
TSHR P16473 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PTGS2 P35354 1/20 0.60
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.57
GLA P06280 1/20 0.56
PKM P14618 1/20 0.56
GHSR Q92847 1/20 0.56

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
SCHEMBL3545014 0.86 GPBAR1 (0.79) GPBAR1ALDH1A1LMNA
SCHEMBL316185 0.83 ALDH1A1 (0.76) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL3451560 0.83 TSHR (0.75) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL10333070 0.82 TSHR (1.00) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL8722344 0.82 TSHR (0.73) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL10333068 0.82 TSHR (0.73) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL1225498 0.82 PTGS2 (0.67) GPBAR1ALDH1A1MAPTGAALMNA
SCHEMBL3546359 0.79 GPBAR1 (0.78) GPBAR1POLBGHSR
SCHEMBL11894104 0.79 POLB (0.77) ALDH1A1MAPTGAALMNATSHR
SCHEMBL11911202 0.79 GPBAR1 (0.71) GPBAR1ALDH1A1LMNAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US 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
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US 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 GPBAR1 365/4885ALDH1A1 86/4885MAPT 3715/4885

“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.