SCHEMBL6414713

SCHEMBL6414713

Clc1ccc(Nc2nc3nonc3nc2NN=Cc2ccco2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 10/20 0.42
TP53 P04637 2/20 0.42
CCR2 P41597 1/20 0.42
CCR5 P51681 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 3/20 0.40
GAA P10253 6/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BIRC5 O15392 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL6419657 0.91 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6419646 0.91 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6431993 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6431990 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6421048 0.84 GAA (0.49) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL3055383 0.84 GAA (0.49) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL6420784 0.84 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL6417007 0.84 MAPT (0.51) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6508259 0.84 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL6417000 0.84 MAPT (0.51) SMN1; SMN2NPC1RAB9AMAPTTP53

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.