SCHEMBL4575818

SCHEMBL4575818

Oc1ccc(CCNc2ccc(Br)cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.67
HTT P42858 4/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
PKM P14618 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
HIF1A Q16665 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GBA1 P04062 1/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL6847403 0.80 LTC4S (1.00) LTC4SALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL31240429 0.77 HTT (0.54) LTC4SHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL11562749 0.77 HCAR3 (0.61)
SCHEMBL182559 0.76 NPC1 (0.53) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL8170461 0.74 CYP1A2 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4969241 0.74 TAAR1 (0.49) ALDH1A1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL28152938 0.73 RAB9A (0.50) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL8520424 0.73 HTT (0.65) LTC4SHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL1060108 0.73 NPC1 (0.49) LTC4SHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL30314736 0.73 NPC1 (0.49) LTC4SHTTALDH1A1SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD LTC4S 1202/4885HTT 798/4885ALDH1A1 645/4885

“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.