SCHEMBL1708096

SCHEMBL1708096

Cc1[nH]c2ccc(F)cc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
METAP2 P50579 1/20 0.42
CHUK O15111 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
FEN1 P39748 1/20 0.41
NPC1 O15118 1/20 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
SCHEMBL5199528 0.85 CCNB2 (0.50) KIF11KEAP1NFE2L2LMNAKDM4E
SCHEMBL10067335 0.80 MAPT (0.55) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL30356394 0.80 MAPT (0.55) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL25805760 0.80 KIF11 (0.55) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL1757611 0.78 KIF11 (0.53) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL1757618 0.77 LMNA (0.53) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL3631051 0.77 KIF11 (0.51) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL21809222 0.75 KEAP1 (0.50) KIF11KEAP1NFE2L2HTR2AHTR2C
SCHEMBL5857601 0.75 KEAP1 (0.50) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL19255431 0.75 KIF11 (0.46) KIF11SMN1; SMN2LMNAKDM4ECHUK

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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 (2 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R KIF11 3972/4885KEAP1 2703/4885NFE2L2 2452/4885
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 KIF11 4647/4885KEAP1 360/4885NFE2L2 598/4885

“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.