SCHEMBL1854941

SCHEMBL1854941

CCOC(=O)c1cccc(-c2cccc3cc(OCc4cccc(C(F)(F)F)c4)nn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
MAOB P27338 3/20 0.45
NR4A2 P43354 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
SYK P43405 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 2/20 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
SCHEMBL1852563 0.89 NR4A2 (0.56) MAOBNR4A2MRGPRX4
Water SCHEMBL1854715 0.87 NR4A2 (0.54) MAOBNR4A2MRGPRX4
Water SCHEMBL1854716 0.87 NR4A2 (0.54) MAOBNR4A2MRGPRX4
SCHEMBL3208707 0.83 GPR52 (0.57) MRGPRX4
SCHEMBL1855671 0.77 BRAF (0.51) BRAFSYKDYRK3CCNT1CCNA2
SCHEMBL1848831 0.76 DYRK3 (0.48) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1852034 0.74 MAPT (0.43) BRAFMAPTNPC1ALDH1A1RAB9A
SCHEMBL30786693 0.71 CES2 (0.61) MAPTALDH1A1MEN1KMT2A
SCHEMBL1994068 0.71 CES2 (0.61) MAPTALDH1A1MEN1KMT2A
SCHEMBL18707372 0.70 MRGPRX4 (0.56) MAOBNR4A2MAPTNPC1RAB9A

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 BRAF 4083/4885MAOB 1106/4885NR4A2 8/4885

“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.