SCHEMBL3608422

SCHEMBL3608422

Cn1nnnc1-c1cc(-c2cccc(C(=O)O)c2)sc1-c1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
HIF1A Q16665 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
HSD17B1 P14061 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
PLA2G10 O15496 1/20 0.39
HSD17B2 P37059 1/20 0.39
KMO O15229 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXRA P19793 1/20 0.38

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
SCHEMBL3592991 0.87 NPSR1 (0.40) NPSR1HIF1ARXFP1HDAC1HDAC6
SCHEMBL3601375 0.86 MAPT (0.46) NPSR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3597343 0.83 HSD17B1 (0.59) HSD17B1HSD17B2MAPT
SCHEMBL3605066 0.81 NPC1 (0.44) HDAC1HDAC6IKBKBCHUKPDE4D
SCHEMBL3610616 0.79 NPSR1 (0.48) NPSR1HIF1AHDAC6HSD17B1NPC1
SCHEMBL3605885 0.77 ESR1 (0.56) NPSR1HIF1ARXFP1HSD17B1SMN1; SMN2
SCHEMBL3601335 0.76 CSNK1D (0.47) NPSR1HIF1ARXFP1NPC1RAB9A
SCHEMBL3606907 0.75 HDAC1 (0.44) HDAC1HDAC6IKBKBCHUKHSD17B1
SCHEMBL3613039 0.75 KDM4E (0.43) NPSR1HIF1ARXFP1NPC1RAB9A
SCHEMBL3604612 0.74 NPSR1 (0.42) NPSR1HIF1ARXFP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 NPSR1 169/4885HIF1A 4467/4885RXFP1 943/4885

“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.