SCHEMBL7119104

SCHEMBL7119104

Clc1ccc(-c2csc(Nc3cccc(-n4ccnc4)c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.60
NPC1 O15118 1/20 0.58
ESR1 P03372 1/20 0.58
VCP P55072 3/20 0.57
PTGS2 P35354 3/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
DEGS1 O15121 1/20 0.53
MAP4K4 O95819 1/20 0.53
CYP3A4 P08684 1/20 0.53
AMY1A P0DUB6 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
PIM3 Q86V86 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
SPHK2 Q9NRA0 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL7120273 0.91 MAPT (0.63) ALOX5NPC1ESR1VCPPTGS2
SCHEMBL7117380 0.90 ALOX5 (0.58) ALOX5NPC1VCPPTGS2MEN1
SCHEMBL10072680 0.89 MEN1 (0.61) ALOX5NPC1ESR1VCPPTGS2
SCHEMBL12297984 0.88 ESR1 (0.68) ALOX5NPC1ESR1VCPPTGS2
SCHEMBL7122127 0.84 RAB9A (0.59) NPC1PTGS2MEN1KMT2AMAPT
SCHEMBL7121402 0.84 CYP1A1 (0.50) ALOX5NPC1ESR1MEN1KMT2A
SCHEMBL12298224 0.84 MEN1 (0.69) ALOX5NPC1PTGS2MEN1KMT2A
SCHEMBL7129752 0.83 PSEN1 (0.62) ALOX5NPC1VCPPTGS2MEN1
SCHEMBL12298369 0.83 MEN1 (0.61) ALOX5NPC1MEN1KMT2AMAPT
SCHEMBL12298058 0.83 ALOX5 (0.64) ALOX5NPC1VCPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 ALOX5 2583/4885NPC1 310/4885ESR1 1382/4885

“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.