SCHEMBL7735588

SCHEMBL7735588

Cc1ccnc(C)c1C[O]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.45
NOS3 P29474 3/20 0.45
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP2A6 P11509 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RX7 Q99572 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NMT1 P30419 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL463497 0.79 NOS2 (0.63) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27654710 0.78 NOS2 (0.42) NOS2NOS3CCR1CCR5CCR8
SCHEMBL305502 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL31150926 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL3294193 0.77 NOS2 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27964282 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL13059144 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL5009720 0.77 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL3899633 0.76 NOS2 (0.44) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL5012207 0.76 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8

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-6452008-B2 3-UREA COMPOUND FROM THE 3-AMIDO COMPOUND WITHOUT AZIDATION PROCESS WHICH HAS RISK OF EXPLOSION; REACTION WITH HYPOCHLORITE, HYPOBROMITE OR LEAD TETRAACETATE AND THEN AN AMINE; ACAT INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-20010051732-A1 Pyridone derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2001-12-13 US disclosed
US-6300500-B1 Preparation of pyridone derivatives using phthalimido containing starting material SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-1086948-A1 PYRIDONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-28 EP 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-20010051732-A1 Pyridone derivatives and process for preparing the same HK1, HPD, ALK NOS2 4721/4885NOS3 4645/4885CCR1 2657/4885

“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.