SCHEMBL5752183

SCHEMBL5752183

Cc1cc(C(=O)N2CCN(c3cccc(CO)c3)CC2)n(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 4/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.46
GRM5 P41594 1/20 0.45
MAPT P10636 4/20 0.45
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.44
KHK P50053 1/20 0.43

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
SCHEMBL6416255 0.87 TSHR (0.65) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6415443 0.86 TSHR (0.59) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6263633 0.85 KMT2A (0.53) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL29495713 0.85 LMNA (0.65) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6261742 0.85 TSHR (0.58) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6262956 0.85 TSHR (0.58) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6259088 0.85 LMNA (0.65) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6261720 0.85 TSHR (0.50) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6264980 0.84 TSHR (0.57) TSHRLMNAMAPK1ALDH1A1KMT2A
SCHEMBL6418198 0.84 TSHR (0.60) TSHRLMNAMAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651602-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-05-03 EP disclosed
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
WO-2005009947-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2005-02-03 WO disclosed
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT TSHR 4236/4885LMNA 2233/4885MAPK1 3623/4885
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 TSHR 4556/4885LMNA 2134/4885MAPK1 3439/4885

“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.