SCHEMBL13458074

SCHEMBL13458074

Clc1ccc(-c2ccc(-c3ccccc3)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL240423 0.96 RAB9A (0.50) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL30402035 0.96 RAB9A (0.50) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL10803637 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL13458070 0.86 RAB9A (0.58) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL23731087 0.82 CYP1A2 (0.64) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL256008 0.82 HSD11B1 (0.48) SMN1; SMN2NPC1RAB9ACYP1A2MEN1
SCHEMBL2493590 0.81 RAB9A (0.62) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL23565886 0.79 PTGS2 (0.50) SMN1; SMN2NPC1RAB9AUSP2TP53
SCHEMBL3152568 0.78 KDM4E (0.42) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL2314305 0.78 MAPT (0.45) SMN1; SMN2NPC1RAB9AUSP2TP53

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
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 EP disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 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-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 SMN1; SMN2 2752/4885NPC1 35/4885RAB9A 3868/4885

“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.