SCHEMBL1854629

SCHEMBL1854629

FC(F)(F)c1cccc(Cc2nc3cccc(Br)c3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ELANE P08246 1/20 0.39
IDO1 P14902 1/20 0.38
MPO P05164 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL1847848 0.76 GPR52 (0.51) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30358399 0.75 ELANE (0.34) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1854531 0.75 GPR52 (0.52) KMT2AMAPTTDP1MEN1
SCHEMBL6969232 0.73 DHFR (0.39) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1855422 0.73 GPR52 (0.53) KMT2AMAPTTDP1RAB9ANPC1
SCHEMBL1851530 0.72 GPR52 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27827183 0.70 TAAR1 (0.53) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1857128 0.70 HTR2B (0.47) KMT2AMAPTTDP1RAB9ANPC1
SCHEMBL6960207 0.70 DHFR (0.38) KMT2AMAPTAPPCYP1A2CYP3A4
SCHEMBL3237564 0.70 TAAR1 (0.64) MAPTLTA4HTAAR1IDO1DAO

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 KMT2A 941/4885MAPT 4174/4885TDP1 4268/4885

“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.