SCHEMBL1901655

SCHEMBL1901655

Cc1ccc([N+](=O)[O-])cc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPBWR1 P48145 4/20 0.44
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ LMNA P02545 5/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40

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
SCHEMBL30011 0.81 MAPT (0.54) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL29904251 0.81 MAPT (0.54) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1225953 0.77 PGR (0.51) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL13306916 0.77 GRIA1 (0.53) TDP1ALDH1A1TSHRNPBWR1MAPT
Indole SCHEMBL23362403 0.75 NPBWR1 (0.42) TDP1ALDH1A1TSHRNPBWR1MAPT
Indole SCHEMBL710464 0.74 TRPA1 (0.55) TDP1ALDH1A1NPBWR1MAPTMEN1
SCHEMBL15477943 0.73 ALDH1A1 (0.51) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5659592 0.73 TRPA1 (0.50) MEN1KMT2ANR3C1PGRNPC1
SCHEMBL29935827 0.73 MEN1 (0.46) TDP1ALDH1A1TSHRMAPTMEN1
SCHEMBL22076862 0.73 MEN1 (0.46) TDP1ALDH1A1TSHRMAPTMEN1

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-107753486-B Low drug resistance and low side effect therapeutic agent for chronic myelogenous leukemia containing 1, 6-disubstituted indole compound 韩国科学技术研究院 2021-03-30 — — CN disclosed
US-10130631-B2 CML therapeutic agents with reduced drug-resistance and side-effect comprising 1,6-disubstituted indole compounds KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-11-20 — — US disclosed
CN-107753486-A Low resistance to the action of a drug low side effect chronic myelogenous leukemia therapeutic agent containing 1,6 disubstituted indole compounds 韩国科学技术研究院 2018-03-06 — — CN disclosed
US-20180050036-A1 CML THERAPEUTIC AGENTS WITH REDUCED DRUG-RESISTANCE AND SIDE-EFFECT COMPRISING 1,6-DISUBSTITUTED INDOLE COMPOUNDS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-02-22 — — US disclosed
US-8765749-B2 1,6-disubstituted indole compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-01 — — US disclosed
US-8765749-B2 1,6-disubstituted indole compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-01 — — US disclosed
US-20120271048-A1 NOVEL 1,6-DISUBSTITUTED INDOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-25 — — US disclosed
US-20120271048-A1 NOVEL 1,6-DISUBSTITUTED INDOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-25 — — US disclosed
WO-2011052923-A2 NOVEL 1,6-DISUBSTITUTED INDOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-05 — — WO disclosed
WO-2011052923-A2 NOVEL 1,6-DISUBSTITUTED INDOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-05 — — 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 (3 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-20120271048-A1 NOVEL 1,6-DISUBSTITUTED INDOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K6, MAP3K20, MAP3K1 TDP1 1815/4885ALDH1A1 3172/4885TSHR 2710/4885
US-10130631-B2 CML therapeutic agents with reduced drug-resistance and side-effect comprising 1,6-disubstituted indole compounds ABL1, MCL1, INMT TDP1 2114/4885ALDH1A1 202/4885TSHR 3613/4885
US-20180050036-A1 CML THERAPEUTIC AGENTS WITH REDUCED DRUG-RESISTANCE AND SIDE-EFFECT COMPRISING 1,6-DISUBSTITUTED INDOLE COMPOUNDS ABL1, MCL1, INMT TDP1 2114/4885ALDH1A1 202/4885TSHR 3613/4885

“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.

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