SCHEMBL5041224

SCHEMBL5041224

NC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.48
SIRT6 Q8N6T7 2/20 0.41
GBA1 P04062 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
VNN1 O95497 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PAX8 Q06710 1/20 0.37
CNR1 P21554 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL5134193 0.92 TSHR (0.44) HCAR3SIRT6GBA1OPRM1OPRD1
SCHEMBL5132655 0.85 RPS6KB1 (0.46) SIRT6OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2217065 0.78 PLA2G10 (0.49) SIRT6OPRM1OPRD1OPRK1P4HTM
SCHEMBL5041228 0.76 GBA1 (0.46) HCAR3GBA1OPRK1TSHRALDH1A1
SCHEMBL1720417 0.75 HCAR3 (0.60) HCAR3GBA1P4HTMTSHRALDH1A1
SCHEMBL5134062 0.73 OPRM1 (0.52) SIRT6OPRM1OPRD1OPRK1VNN1
SCHEMBL6469219 0.70 HDAC3 (0.64) OPRM1OPRD1OPRK1VNN1ALDH1A1
SCHEMBL2222631 0.70 SIRT6 (0.52) HCAR3SIRT6P4HTMTSHRALDH1A1
SCHEMBL2635320 0.70 SIRT6 (0.73) SIRT6P4HTMTSHRALDH1A1KDM4E
SCHEMBL30874243 0.70 SIRT6 (0.52) HCAR3SIRT6P4HTMTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA HCAR3 748/4885SIRT6 750/4885GBA1 66/4885

“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.