SCHEMBL6180198

SCHEMBL6180198

CC(C)c1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
WNT3A P56704 4/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM4 Q14833 1/20 0.39
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTNNB1 P35222 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6181580 0.86 WNT3A (0.45) TGFBR1NPC1RAB9AWNT3ALOXL2
SCHEMBL6182682 0.86 MAP4K4 (0.47) TGFBR1NPC1RAB9ALOXL2KMT2A
SCHEMBL6181106 0.86 WNT3A (0.48) WNT3ALOXL2KMT2AGRM4SMN1; SMN2
SCHEMBL6179073 0.85 TLR7 (0.47) NPC1RAB9APKMWNT3ALOXL2
SCHEMBL6182297 0.84 TGFBR1 (0.44) TGFBR1NPC1RAB9AWNT3ALOXL2
SCHEMBL6180356 0.83 RAB9A (0.48) TGFBR1NPC1RAB9APKMMEN1
SCHEMBL6703618 0.82 RAB9A (0.51) TGFBR1NPC1RAB9APOLBPKM
SCHEMBL6184116 0.81 TRPV1 (0.48) TGFBR1WNT3ALOXL2MEN1KMT2A
SCHEMBL6180999 0.78 TLR7 (0.49) NPC1RAB9AWNT3AMEN1KMT2A
SCHEMBL6198811 0.78 CHRNA7 (0.43) NPC1RAB9AWNT3AKMT2AGRM4

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
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

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-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885NPC1 1560/4885RAB9A 2084/4885

“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.