SCHEMBL6180356

SCHEMBL6180356

COc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PKM P14618 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.47
TLR7 Q9NYK1 1/20 0.47
TGFBR1 P36897 1/20 0.47
ALPL P05186 1/20 0.46
HPGD P15428 2/20 0.46
CDK5 Q00535 2/20 0.46
PAX8 Q06710 2/20 0.46
CDK5R1 Q15078 2/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL6703618 0.89 RAB9A (0.51) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL6181580 0.86 WNT3A (0.45) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL6181106 0.86 WNT3A (0.48) KDM4EKMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL6179073 0.85 TLR7 (0.47) RAB9ANPC1MAPTALDH1A1PKM
SCHEMBL6180999 0.85 TLR7 (0.49) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL5956440 0.85 WNT3A (0.43) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL6182297 0.84 TGFBR1 (0.44) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6182682 0.84 MAP4K4 (0.47) RAB9ANPC1KDM4EKMT2AL3MBTL1
SCHEMBL6180198 0.83 TGFBR1 (0.47) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL38661938 0.83 SMN1; SMN2 (0.63) RAB9ANPC1MAPTKDM4EALDH1A1

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-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 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 (2 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-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors TGFBR1, TGFB1, TGFBR2 RAB9A 3471/4885NPC1 1167/4885MAPT 1361/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 RAB9A 2084/4885NPC1 1560/4885MAPT 2696/4885

“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.