SCHEMBL3464465

SCHEMBL3464465

CC(=O)N(C)c1ccc(C(N)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCAR3 P49019 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM5 P41594 1/20 0.40
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
HPGDS O60760 1/20 0.38
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
EPHX2 P34913 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
SCHEMBL4596038 0.84 HCAR3 (0.59) HCAR3KDM4E
SCHEMBL976946 0.84 NNMT (0.55) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5009849 0.82 NNMT (0.53) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL2674517 0.82 NNMT (0.53) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL25569690 0.81 NNMT (0.52) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL3121440 0.80 KDM4E (0.46) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL2792080 0.79 CA12 (0.36) SMN1; SMN2HCAR3KDM4E
SCHEMBL3132351 0.77 NNMT (0.47) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL8278725 0.77 RAB9A (0.43) SMN1; SMN2HCAR3KDM4E
SCHEMBL18433935 0.76 HCAR3 (0.55) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NNMT 1562/4885SMN1; SMN2 1172/4885HCAR3 46/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 NNMT 957/4885SMN1; SMN2 411/4885HCAR3 450/4885

“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.