SCHEMBL5058414

SCHEMBL5058414

O=[N+]([O-])c1ccccc1C1COCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR68 Q15743 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36
GSR P00390 1/20 0.36

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
SCHEMBL27564899 0.86 TDP1 (0.46) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL28687501 0.78 GPR35 (0.42) KMT2AMAPTMEN1GAALMNA
SCHEMBL27972715 0.76 TSHR (0.37) KMT2AMEN1KDM4EGAAL3MBTL1
SCHEMBL5202115 0.76 KMT2A (0.44) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL5674530 0.76 KMT2A (0.41) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL11493131 0.76 KMT2A (0.41) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL31598780 0.73 CA2 (0.36) CYP2C9
SCHEMBL28083530 0.73 MAPK1 (0.41) KMT2AMAPTMEN1GAAHTT
SCHEMBL443597 0.73 ALDH1A1 (0.43) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL23136984 0.73 PRKACA (0.45) CYP3A4HTR2BKCNH2SMN1; SMN2

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
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN claimed
CN-113735879-B Macrocyclic JAK inhibitor and application thereof 百极弘烨(广东)医药科技有限公司 2022-05-17 CN disclosed
CN-113583020-B JAK2 inhibitor and application 百极弘烨(广东)医药科技有限公司 2022-04-22 CN disclosed
CN-113735879-A Macrocyclic JAK inhibitor and application thereof 百极弘烨(南通)医药科技有限公司 2021-12-03 CN disclosed
CN-113583020-A JAK2 inhibitor and application 百极弘烨(南通)医药科技有限公司 2021-11-02 CN disclosed
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 KMT2A 1686/4885MAPT 4502/4885MEN1 2946/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 KMT2A 1686/4885MAPT 4502/4885MEN1 2946/4885

“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.