SCHEMBL5113534

SCHEMBL5113534

O=C(CCl)NNC(=O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP1A2 P05177 1/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
HDAC3 O15379 5/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
POLB P06746 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
OGG1 O15527 1/20 0.55
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL6765829 0.85 ALDH1A1 (0.61) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL13481186 0.84 POLB (0.68) MEN1KMT2AL3MBTL1CYP1A2ATM
SCHEMBL1982518 0.84 POLB (0.68) MEN1KMT2AL3MBTL1CYP1A2ATM
SCHEMBL2636124 0.83 ALDH1A1 (0.59) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL10764589 0.83 KMT2A (0.61) MEN1KMT2AL3MBTL1CYP1A2ATM
SCHEMBL2635927 0.81 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EHTTHDAC1
SCHEMBL22288978 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL517572 0.81 ALDH1A1 (0.57) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL29241739 0.79 CTDSP1 (0.70) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3003256 0.78 ALDH1A1 (0.70) CYP1A2ALDH1A1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 CN disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 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-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR2, AVPR1B MEN1 2431/4885KMT2A 4065/4885L3MBTL1 4094/4885
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R MEN1 3780/4885KMT2A 4466/4885L3MBTL1 4180/4885

“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.