SCHEMBL4237333

SCHEMBL4237333

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
BRAF P15056 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PNLIP P16233 3/20 0.40
RAF1 P04049 1/20 0.39
ARAF P10398 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL5149824 0.91 PKM (0.49) PKMBRAFHDAC1TAS1R3TAS1R1
SCHEMBL4242067 0.90 PKM (0.48) PKMBRAFHDAC1HDAC3HDAC4
SCHEMBL4686268 0.89 PKM (0.53) PKMBRAFHDAC1HDAC3HDAC4
SCHEMBL5149411 0.89 PKM (0.52) PKMTAS1R3TAS1R1PNLIPCYP2C9
SCHEMBL5149668 0.88 BRAF (0.49) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL5148190 0.87 PKM (0.48) PKMTAS1R3TAS1R1PNLIPRAF1
SCHEMBL5173994 0.86 PKM (0.49) PKMBRAFHDAC1HDAC3HDAC4
SCHEMBL4238103 0.85 PKM (0.42) PKMBRAFHDAC1HDAC3HDAC4
Ammonia Solution, Strong SCHEMBL4235457 0.85 PKM (0.58) PKMTAS1R3TAS1R1NPC1TP53
SCHEMBL4228260 0.84 PKM (0.54) PKMTAS1R3TAS1R1CYP2C9CYP2C19

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 9 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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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-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 PKM 1734/4885BRAF 2195/4885HDAC1 3595/4885

“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.