SCHEMBL3601801

SCHEMBL3601801

O=[N+]([O-])c1ccc(C(F)(F)F)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
CTSB P07858 4/20 0.55
ALDH1A1 P00352 6/20 0.48
AR P10275 3/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 2/20 0.42
HPRT1 P00492 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
PARP1 P09874 1/20 0.40
TSHR P16473 2/20 0.40
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9747305 0.89 TDP1 (0.67) TDP1CTSBALDH1A1POLBCYP3A4
SCHEMBL24287914 0.83 CTSB (0.53) TDP1CTSBALDH1A1ARPOLB
SCHEMBL7788656 0.82 TDP1 (0.80) TDP1CTSBALDH1A1ARPOLB
SCHEMBL11818394 0.81 TDP1 (0.55) TDP1CTSBALDH1A1POLBCYP3A4
SCHEMBL16990730 0.79 TDP1 (0.61) TDP1CTSBALDH1A1ARCYP3A4
SCHEMBL11973076 0.77 MAPT (0.61) TDP1CTSBALDH1A1POLBLMNA
SCHEMBL1999849 0.76 ALDH1A1 (0.50) TDP1ALDH1A1ARPOLBCYP3A4
SCHEMBL30627320 0.76 ALDH1A1 (0.50) TDP1ALDH1A1ARPOLBCYP3A4
SCHEMBL536316 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARCYP3A4
SCHEMBL29662561 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARCYP3A4

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 TDP1 4441/4885CTSB 4422/4885ALDH1A1 1763/4885

“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.