SCHEMBL3545882

SCHEMBL3545882

CN1CCN(C(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 13/20 0.61
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALPL P05186 1/20 0.44
▸ HSP90AB1 P08238 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ PDE1C Q14123 1/20 0.40

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
SCHEMBL3549227 0.86 HSP90AA1 (0.61) HSP90AA1TSHRALPLHSP90AB1
SCHEMBL3548500 0.85 HSP90AA1 (0.67) HSP90AA1LMNATP53TSHRHSP90AB1
SCHEMBL13151325 0.79 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL13627466 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1POLB
SCHEMBL3087949 0.77 HSP90AA1 (0.48) HSP90AA1TP53HSP90AB1
SCHEMBL20677849 0.77 HSP90AA1 (1.00) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL15103620 0.76 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL13627501 0.73 ALDH1A1 (0.46) HSP90AA1LMNATSHRHSP90AB1KMT2A
SCHEMBL4481238 0.71 SMARCA2 (0.48) HSP90AA1LMNAHSP90AB1KMT2APOLB
SCHEMBL13151367 0.70 HSP90AA1 (0.52) HSP90AA1TSHRHSP90AB1

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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 — — US claimed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 — — US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 — — US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 — — US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 — — US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 — — US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 — — 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 (2 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 HSP90AA1 1231/4885LMNA 3047/4885TP53 4444/4885
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885LMNA 3489/4885TP53 29/4885

“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.

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