SCHEMBL4499172

SCHEMBL4499172

Cc1cccc(C)c1-c1ncc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.46
PARP1 P09874 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
SIRT3 Q9NTG7 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
HPGDS O60760 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30962788 0.88 TSHR (0.47) NNMTPARP1SMN1; SMN2PSMD14STAMBP
SCHEMBL30962695 0.84 SCN9A (0.43) NNMTPARP1SMN1; SMN2HPGDSVNN1
SCHEMBL30962639 0.79 NNMT (0.44) NNMTPARP1SMN1; SMN2PSMD14STAMBP
SCHEMBL669121 0.77 NNMT (0.52) NNMTPARP1SMN1; SMN2SIRT3F7
SCHEMBL3407188 0.76 NNMT (0.56) NNMTPARP1SMN1; SMN2PSMD14STAMBP
SCHEMBL13531369 0.75 MAP4K4 (0.43) SMN1; SMN2HPGDSMAPTHSD17B10GRM5
SCHEMBL16005733 0.75 CCR1 (0.48) PARP1
SCHEMBL30962845 0.74 TSHR (0.40) NNMTPARP1SMN1; SMN2POLBTSHR
SCHEMBL30537997 0.74 PSMD14 (0.66) PARP1PSMD14STAMBPCOPS5HPGDS
SCHEMBL17629674 0.74 PSMD14 (0.66) PARP1PSMD14STAMBPCOPS5HPGDS

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
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 NNMT 139/4885PARP1 1586/4885SMN1; SMN2 422/4885

“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.