SCHEMBL3606794

SCHEMBL3606794

O=[N+]([O-])c1ccc(I)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
CTSB P07858 5/20 0.60
ALDH1A1 P00352 5/20 0.53
AR P10275 1/20 0.50
HSD17B10 Q99714 2/20 0.46
HPRT1 P00492 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PARP1 P09874 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7788656 0.87 TDP1 (0.80) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL57166 0.77 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL14589059 0.76 MAPT (0.52) TDP1CTSBALDH1A1PARP1SMN1; SMN2
SCHEMBL6815901 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL7835243 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL297029 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL1379532 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL8722948 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL16990730 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058573-A Synthesis method of 1-tribromomethylsulfonyl naphthalene and derivative thereof 潍坊学院 2025-05-30 CN disclosed
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2023-10-26 US disclosed
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
EP-0386116-A1 PROCESS FOR THE PREPARATION OF COPOLY(ARYLENE SULFIDE) EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-09-12 EP disclosed
WO-1989004338-A1 PROCESS FOR THE PREPARATION OF COPOLY(ARYLENE SULFIDE) EASTMAN KODAK COMPANY (US) 1989-05-18 WO disclosed
US-4792600-A FROM DIIODOAROMATIC COMPOUND AND SULFUR EASTMAN KODAK COMPANY (US) 1988-12-20 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 (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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 TDP1 4441/4885CTSB 4422/4885ALDH1A1 1763/4885
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF HIF1AN, HIF1A, MGMT TDP1 254/4885CTSB 4076/4885ALDH1A1 1217/4885

“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.