SCHEMBL981616

SCHEMBL981616

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.40
MAP4K4 O95819 1/20 0.40
P2RY12 Q9H244 1/20 0.39
UGT8 Q16880 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
DRD4 P21917 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38

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 0.89 MAP4K4 (0.41) HTR4MAP4K4P2RY12UGT8KMT2A
SCHEMBL27440962 0.85 HRH4 (0.52) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL2178736 0.82 LMNA (0.40) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL985848 0.81 P2RY12 (0.57) P2RY12KMT2AKDM4EMEN1USP2
SCHEMBL3716892 0.81 HTR4 (0.43) HTR4MAP4K4KMT2AKDM4EMEN1
SCHEMBL3412871 0.81 SMN1; SMN2 (0.41) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL593003 0.80 PIK3CB (0.48) KMT2AKDM4EMEN1ALDH1A1NAPEPLD
SCHEMBL3407827 0.77 PTGER4 (0.39) KMT2AKDM4EMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL5222812 0.76 LMNA (0.46) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL3711381 0.75 CKS1B (0.46) MAP4K4KMT2AMEN1

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
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
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
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 HTR4 3134/4885MAP4K4 1607/4885P2RY12 1151/4885

“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.