SCHEMBL5535276

SCHEMBL5535276

Cc1onc(-c2ccccc2)c1C(=O)NC1CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
GHSR Q92847 1/20 0.56
GABRA5 P31644 2/20 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
SCHEMBL315885 0.85 OPRM1 (0.51) KMT2ATSHRHTTMAPK1SMN1; SMN2
SCHEMBL13501818 0.85 GABRA5 (0.64) KMT2ASMN1; SMN2MEN1L3MBTL1NPSR1
SCHEMBL20006960 0.84 ALDH1A1 (0.67) KMT2ATSHRHTTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL317416 0.84 OPRM1 (0.53) KMT2ATSHRHTTMAPK1SMN1; SMN2
SCHEMBL13501829 0.83 GABRA5 (0.48) KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL13501828 0.83 CYP1A1 (0.51) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL3977460 0.83 HTT (0.65) KMT2ATSHRHTTSMN1; SMN2GAA
SCHEMBL352886 0.81 TSHR (0.68) KMT2ATSHRHTTMAPK1SMN1; SMN2
SCHEMBL976467 0.81 TSHR (0.68) KMT2ATSHRHTTMAPK1SMN1; SMN2
SCHEMBL27722453 0.81 KMT2A (0.76) KMT2ATSHRHTTMAPK1SMN1; SMN2

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 12 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
CN-100384418-C Isoxazolopyridinones and use thereof in the treatment of parkinson's disease NOVARTIS AG (CH) 2008-04-30 CN 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
EP-1418912-B1 ISOXAZOLOPYRIDINONES NOVARTIS AG (CH) 2007-02-28 EP disclosed
US-7087756-B2 Isoxazolopyridinones NOVARTIS AG (CH) 2006-08-08 US disclosed
CN-1635889-A Isoxazolopyridinones and their use in the treatment of parkinson's disease NOVARTIS AG (CH) 2005-07-06 CN disclosed
US-20040248893-A1 Isoxazolopyridinones NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1418912-A2 ISOXAZOLOPYRIDINONES Novartis AG (CH) 2004-05-19 EP disclosed
WO-2003015780-A2 ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2003-02-27 WO 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 KMT2A 2389/4885TSHR 2190/4885HTT 2807/4885
US-20040248893-A1 Isoxazolopyridinones XDH, NPY1R, TBXA2R KMT2A 2514/4885TSHR 874/4885HTT 3817/4885

“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.