SCHEMBL985562

SCHEMBL985562

COCCN1CCN(c2cc(C(=O)O)nc(OC)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH4 Q9H3N8 1/20 0.42
MAP4K4 O95819 1/20 0.41
P2RY12 Q9H244 2/20 0.40
P4HTM Q9NXG6 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
GPR119 Q8TDV5 1/20 0.37
HTR4 Q13639 1/20 0.37
ACHE P22303 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
AXL P30530 2/20 0.36
SLC29A1 Q99808 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL981374 0.85 MAP4K4 (0.41) HRH4MAP4K4P2RY12P4HTMHTR1A
SCHEMBL981610 0.81 P2RY12 (0.56) LMNATDP1P2RY12P4HTMHTR1A
SCHEMBL5490793 0.76 KMO (0.53) KDM4EALDH1A1
SCHEMBL981616 0.75 HTR4 (0.40) HRH4MAP4K4P2RY12HTR1AHTR2A
SCHEMBL985848 0.73 P2RY12 (0.57) LMNAP2RY12HTR1AHTR2ADRD3
SCHEMBL3716892 0.70 HTR4 (0.43) LMNAMAP4K4HTR1AHTR2ADRD3
SCHEMBL9755188 0.70 CASP1 (0.60) HRH4MAP4K4ACHE
SCHEMBL13472386 0.68 KMO (0.53) TDP1HRH4P4HTMKDM4EALDH1A1
SCHEMBL3121609 0.68 PIK3CA (0.44) TDP1KDM4EALDH1A1
SCHEMBL25142109 0.68 MAP4K4 (0.44) LMNAMAP4K4HTR2AHTR4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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 (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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 LMNA 2088/4885TDP1 387/4885HRH4 4122/4885

“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.