SCHEMBL4226997

SCHEMBL4226997

CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
MET P08581 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 2/20 0.37
POLB P06746 1/20 0.37
RORC P51449 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4228945 0.89 HRH3 (0.43) PKMTAS1R3TAS1R1METMAPT
SCHEMBL4226994 0.88 PKM (0.46) PKMTDP1ALDH1A1TAS1R3TAS1R1
SCHEMBL4231850 0.87 PKM (0.48) PKMTAS1R3TAS1R1MAPTRAB9A
SCHEMBL4236665 0.86 PKM (0.52) PKMTDP1ALDH1A1TAS1R3TAS1R1
SCHEMBL4683259 0.86 PKM (0.49) PKMALDH1A1TAS1R3TAS1R1MAPT
SCHEMBL4233255 0.85 PKM (0.59) PKMALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL4784128 0.83 EPHX1 (0.47) TDP1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4236662 0.82 PKM (0.50) PKMTDP1ALDH1A1TAS1R3TAS1R1
SCHEMBL4233270 0.82 PKM (0.52) PKMTDP1ALDH1A1TAS1R3TAS1R1
SCHEMBL4237924 0.82 PKM (0.55) PKMTDP1ALDH1A1TAS1R3TAS1R1

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 claimed
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-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 PKM 1734/4885TDP1 2128/4885ALDH1A1 4542/4885

“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.