SCHEMBL3607822

SCHEMBL3607822

N#Cc1c(Br)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.59
HPRT1 P00492 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
S1PR4 O95977 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
TLR9 Q9NR96 1/20 0.39
HPGD P15428 1/20 0.39
VCAM1 P19320 3/20 0.38
CASP6 P55212 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
SCHEMBL3609722 0.75 CTSB (1.00) CTSBHPRT1TDP1TSHRNPC1
SCHEMBL29779317 0.75 CTSB (1.00) CTSBHPRT1TDP1TSHRNPC1
SCHEMBL29478930 0.73 ALDH1A1 (0.47) CTSBTDP1MAPTALDH1A1POLB
SCHEMBL27096267 0.73 ALDH1A1 (0.47) CTSBTDP1MAPTALDH1A1POLB
SCHEMBL4023385 0.73 TDP1 (0.45) TDP1TSHRKDM4EMAPTALDH1A1
SCHEMBL8561762 0.72 CASP6 (0.54) CTSBHPRT1TDP1TSHRNPC1
SCHEMBL11335429 0.72 CTSB (0.61) CTSBHPRT1TDP1TSHRNPC1
SCHEMBL11948737 0.71 HTT (0.45) CTSBHPRT1TDP1TSHRNPC1
SCHEMBL7635310 0.71 TDP1 (0.58) CTSBTDP1ALDH1A1POLBHPGD
SCHEMBL6245129 0.70 HPRT1 (0.78) CTSBHPRT1TDP1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 CTSB 4422/4885HPRT1 4088/4885TDP1 4441/4885

“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.