SCHEMBL4228568

SCHEMBL4228568

COc1cc(Oc2ccc(NC(=O)NC(C)C)cc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
MTNR1B P49286 4/20 0.47
MMP2 P08253 1/20 0.47
RAF1 P04049 2/20 0.46
ARAF P10398 1/20 0.46
BRAF P15056 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPY5R Q15761 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.44
MTNR1A P48039 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4236682 0.87 PKM (0.64) MAPK1MTNR1BRAF1ARAFBRAF
Ammonia Solution, Strong SCHEMBL4235357 0.86 PKM (0.63) MAPK1MTNR1BRAF1ARAFBRAF
SCHEMBL5184523 0.85 MAPK1 (0.49) MAPK1MTNR1BMMP2RAF1ARAF
SCHEMBL4688156 0.83 BRAF (0.51) MTNR1BRAF1ARAFBRAFHDAC1
SCHEMBL5183338 0.81 MAPK1 (0.46) MAPK1MTNR1BMMP2SMN1; SMN2CA12
SCHEMBL4234256 0.81 MAPK1 (0.56) MAPK1MMP2BRAFHDAC1SMN1; SMN2
SCHEMBL4233933 0.81 RAF1 (0.49) MAPK1MTNR1BMMP2RAF1SMN1; SMN2
SCHEMBL4231910 0.80 TAS1R3 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL4232176 0.79 FPR2 (0.46) MAPK1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL12595082 0.79 BRAF (0.47) MTNR1BRAF1ARAFBRAFHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R MAPK1 1312/4885MTNR1B 106/4885MMP2 3801/4885

“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.