SCHEMBL4165355

SCHEMBL4165355

Cc1cccc(N(CC[O])Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
PAX8 Q06710 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP2C19 P33261 1/20 0.49
NR3C1 P04150 2/20 0.47
CETP P11597 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.44
TSPO P30536 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
SCHEMBL4168768 0.91 RAB9A (0.50) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL3979580 0.87 CYP2C19 (0.63) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL11691631 0.86 TSHR (0.51) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL11636036 0.84 RAB9A (0.56) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL10658928 0.84 RAB9A (0.52) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL12957067 0.84 CYP2C19 (0.51) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL31538078 0.83 NR1H2 (0.54) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL11012064 0.83 NR1H2 (0.54) RAB9ANPC1JAK2ALDH1A1HTT
SCHEMBL4160244 0.83 TSHR (0.59) RAB9ANPC1ALDH1A1HTTPAX8
SCHEMBL4170696 0.82 CYP2C19 (0.73) ALDH1A1CYP2C19NR3C1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 RAB9A 2235/4885NPC1 3120/4885JAK2 14/4885

“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.