SCHEMBL19224978

SCHEMBL19224978

O=[N+]([O-])c1ccc2c(c1)Nc1ccccc1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.52
SNCA P37840 1/20 0.51
NPC1 O15118 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
ADRA2A P08913 1/20 0.46
PNMT P11086 1/20 0.46
KIF11 P52732 1/20 0.45
TDP2 O95551 1/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL29485953 1.00 MEN1 (0.54) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30270534 0.82 CA9 (0.56) KMT2AMAPTKDM4ESIRT2NPC1
SCHEMBL495833 0.82 CA9 (0.56) KMT2AMAPTKDM4ESIRT2NPC1
SCHEMBL27481409 0.78 PNMT (0.44) MEN1KMT2AMAPTSIRT2NPC1
SCHEMBL10061497 0.78 KMT2A (0.50) MEN1KMT2AMAPTSIRT2SNCA
SCHEMBL2061055 0.76 MAPT (0.51) MAPTSIRT2NPC1ADRA2APNMT
SCHEMBL31378863 0.75 PNMT (0.58) MEN1KMT2AMAPTSIRT2NPC1
SCHEMBL27931452 0.75 PTPRC (0.54) MEN1KMT2AMAPTGAANPC1
SCHEMBL427407 0.75 PNMT (0.58) MEN1KMT2AMAPTSIRT2NPC1
SCHEMBL7154079 0.74 MAPT (0.49) MEN1KMT2AMAPTSIRT2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof IFOM —FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2025-09-02 US disclosed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 EP disclosed
US-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2022-10-27 US disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 WO disclosed
US-9908890-B2 Selective inhibitors of constitutive androstane receptor ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-03-06 US disclosed
US-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 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 (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-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF NEDD4, ITCH, UBE3A MEN1 3981/4885KMT2A 735/4885MAPT 365/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A MEN1 3981/4885KMT2A 735/4885MAPT 365/4885
US-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1I3, AR MEN1 4383/4885KMT2A 3595/4885MAPT 2875/4885

“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.