SCHEMBL6324064

SCHEMBL6324064

COC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
MAPT P10636 4/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPBWR1 P48145 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL6324070 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL3034403 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2449511 0.86 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL27354737 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31154195 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL3035932 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30707882 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3055116 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3183363 0.80 NPBWR1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31154057 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2AIRAK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339305-B1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARM CO LTD (CN) 2022-05-04 EP disclosed
CN-107406431-B Indole derivatives, preparation method and medical application thereof 上海昂睿医药技术有限公司 2020-06-26 CN disclosed
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-07-12 US disclosed
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-07-12 US disclosed
EP-3339305-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG Zhejiang Hisun Pharmaceutical Co., Ltd (CN) 2018-06-27 EP disclosed
WO-2017028816-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG 浙江海正药业股份有限公司 2017-02-23 WO disclosed
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-10 US disclosed
US-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2004-01-01 US disclosed
US-6548530-B1 Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity THE SCRIPPS RESEARCH INSTITUTE 2003-04-15 US disclosed
EP-0862553-A4 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 1999-02-03 EP disclosed
EP-0862553-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1998-09-09 EP disclosed
WO-1997012862-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-04-10 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-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins DBI, DCK, CCNI ALDH1A1 3378/4885MEN1 2594/4885KMT2A 2288/4885
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins DBI, CCNI, DCK ALDH1A1 2716/4885MEN1 3117/4885KMT2A 1792/4885
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG FGFR1, FGFR2, FGFR4 ALDH1A1 752/4885MEN1 1412/4885KMT2A 935/4885

“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.