SCHEMBL5632004

SCHEMBL5632004

CCCCN(CCCOc1cncc(C(=O)O)c1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
PLA2G2A P14555 1/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLA2G4B P0C869 1/20 0.39
BCHE P06276 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 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
SCHEMBL5633743 0.78 PLA2G2A (0.43) PLA2G2AKMT2ATSHRLMNAHSD17B10
SCHEMBL5632108 0.78 PPARD (0.51) LMNATP53NPC1MAPTSMN1; SMN2
SCHEMBL5634093 0.78 PPARA (0.54)
SCHEMBL5631214 0.78 POLQ (0.50) CYP2C9CYP2C19
SCHEMBL5702296 0.77 PLA2G4B (0.54) KMT2ALMNAMEN1PLA2G4BMAPT
SCHEMBL4806424 0.74 CYP2D6 (0.50) KMT2ATSHRLMNACYP1A2CYP2C9
SCHEMBL5632046 0.74 TOP2A (0.41) KMT2ALMNAMEN1HTTTP53
SCHEMBL5633651 0.74 LMNA (0.38) HCAR3LMNACYP1A2HTTBCHE
SCHEMBL12396413 0.72 FFAR1 (0.61) LMNA
SCHEMBL12396414 0.72 FFAR1 (0.69) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD HCAR3 683/4885PLA2G2A 1282/4885KMT2A 3055/4885

“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.