SCHEMBL2993004

SCHEMBL2993004

CCCCCN1C=CC(C(N)=O)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
TLR8 Q9NR97 3/20 0.33
GRM2 Q14416 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APAF1 O14727 1/20 0.32
RGS12 O14924 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
ICMT O60725 1/20 0.32
CNR2 P34972 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL27889971 0.98 PTGS1 (0.37) PTGS1PTGS2MGLLFAAHTLR8
Bromide SCHEMBL27743415 0.97 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHTLR8
SCHEMBL2997584 0.95 GRM2 (0.35) GRM2NPC1CNR2
SCHEMBL8855876 0.89 LMNA (0.32) LMNA
SCHEMBL31471622 0.85 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHGRM2
SCHEMBL29067694 0.85 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHGRM2
SCHEMBL31471640 0.85 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHGRM2
SCHEMBL7035778 0.82
SCHEMBL31471635 0.81 GRM2 (0.38) GRM2
SCHEMBL9636765 0.76 GRM2 (0.36) PTGS1PTGS2MGLLFAAHTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB PTGS1 276/4885PTGS2 430/4885MGLL 1806/4885

“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.