SCHEMBL3765637

SCHEMBL3765637

N#Cc1cccc(-c2csc(Br)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HK1 P19367 1/20 0.47
RAB9A P51151 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
XDH P47989 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
EIF4E P06730 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
GRM5 P41594 2/20 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
SCHEMBL1858562 0.84 EIF4E (0.61) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL7371077 0.84 ALDH1A1 (0.59) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL30552612 0.84 ALDH1A1 (0.59) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
Bromide SCHEMBL29056835 0.83 ALDH1A1 (0.60) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL1808265 0.83 IDO1 (0.48) IDO1CYP1A1CYP1A2CYP1B1CLK4
SCHEMBL10094734 0.83 GAA (0.67) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
Bromide SCHEMBL30552479 0.83 ALDH1A1 (0.60) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL22801106 0.81 ALDH1A1 (0.56) IDO1CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL28672996 0.80 GAA (0.67) CYP1A1CYP1B1ALDH1A1MAPTRAB9A
SCHEMBL12293153 0.79 CYP1A1 (0.47) IDO1CYP1A1CYP1A2CYP1B1CLK4

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 IDO1 86/4885CYP1A1 118/4885CYP1A2 182/4885

“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.