SCHEMBL6431993

SCHEMBL6431993

Clc1cccc(Nc2nc3nonc3nc2NN=Cc2ccco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 10/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
PKM P14618 1/20 0.42
GAA P10253 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
BIRC5 O15392 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
FADS1 O60427 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SENP8 Q96LD8 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
SCHEMBL6431990 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3058317 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3058312 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6414713 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6419646 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6419657 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3055383 0.87 GAA (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6421048 0.87 GAA (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6417007 0.81 MAPT (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6420784 0.81 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 SMN1; SMN2 4369/4885NPC1 2027/4885RAB9A 1136/4885

“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.