SCHEMBL2530451

SCHEMBL2530451

CCCCCc1cncc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
RARB P10826 5/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 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
SCHEMBL30827012 0.90 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL2516239 0.85 RARB (0.53) TDP1L3MBTL1RARBALDH1A1NPC1
SCHEMBL2566879 0.84 RARB (0.55) RARBALDH1A1NPC1NFKB1RAB9A
SCHEMBL2513768 0.84 GPR84 (0.44) GPR84TDP1L3MBTL1TRPV1RARB
SCHEMBL31046827 0.81 SMYD3 (0.52) L3MBTL1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL9607829 0.81 SMYD3 (0.52) L3MBTL1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL28111983 0.80 RARB (0.51) TDP1L3MBTL1RARBCYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL29793528 0.80 SMYD3 (0.51) L3MBTL1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL27733869 0.78 TDP1 (0.59) GPR84TDP1L3MBTL1CYP3A4PTGS2
SCHEMBL1758170 0.78 MKNK1 (0.57) CYP11B1CYP11B2RARBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527195-A 5-aryl nicotinamide LSD1/HDAC double-target inhibitor, preparation method and application thereof 新乡医学院 2021-10-22 CN claimed
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 EP disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
EP-1569907-A4 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 EP disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
EP-1569907-A1 NICOTINAMIDE-BASED KINASE INHIBITORS Cytopia PTY Ltd (AU) 2005-09-07 EP disclosed
WO-2004054977-A1 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2004-07-01 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK GPR84 1877/4885TDP1 1139/4885L3MBTL1 3769/4885

“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.