SCHEMBL3302853

SCHEMBL3302853

O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
KDM1A O60341 4/20 0.64
HDAC3 O15379 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
PTPN1 P18031 3/20 0.57
DEGS1 O15121 2/20 0.57
TRPV1 Q8NER1 1/20 0.53
POLB P06746 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
RCOR1 Q9UKL0 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
KDM1B Q8NB78 1/20 0.52

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
SCHEMBL13389686 1.00 NPC1 (0.71) NPC1RAB9AKDM1AHDAC3HDAC11
SCHEMBL13389585 0.85 HDAC3 (0.53) NPC1RAB9AKDM1AHDAC3HDAC11
SCHEMBL3302470 0.85 HDAC3 (0.53) NPC1RAB9AKDM1AHDAC3HDAC11
SCHEMBL14113705 0.85 HDAC3 (0.53) NPC1RAB9AKDM1AHDAC3HDAC11
SCHEMBL2565768 0.84 HDAC3 (0.73) NPC1RAB9AKDM1AHDAC3HDAC11
SCHEMBL3278764 0.84 NPC1 (1.00) NPC1RAB9AKDM1ADEGS1SMN1; SMN2
SCHEMBL3300701 0.84 DEGS1 (0.58) NPC1RAB9AHDAC3HDAC11HDAC8
SCHEMBL3300711 0.84 DEGS1 (0.58) NPC1RAB9AHDAC3HDAC11HDAC8
SCHEMBL14113698 0.84 DEGS1 (0.58) NPC1RAB9AHDAC3HDAC11HDAC8
SCHEMBL15021866 0.81 HDAC4 (0.51) KDM1APTPN1DEGS1POLBSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 NPC1 630/4885RAB9A 1908/4885KDM1A 1916/4885

“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.