SCHEMBL3598685

SCHEMBL3598685

O=C(Nc1ccccc1)Nc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 1.00
MAOB P27338 3/20 1.00
SMN1; SMN2 Q16637 3/20 0.74
TP53 P04637 1/20 0.74
EPHX1 P07099 1/20 0.74
TSHR P16473 1/20 0.74
EPHX2 P34913 1/20 0.74
CDK9 P50750 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
CASP3 P42574 2/20 0.69
SENP7 Q9BQF6 2/20 0.69
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
NPC1 O15118 6/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 4/20 0.66
HTT P42858 3/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP6 Q9GZR1 1/20 0.66

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
SCHEMBL8993463 0.91 MAOA (0.83) MAOAMAOBSMN1; SMN2CASP3SENP7
SCHEMBL11059378 0.89 SMN1; SMN2 (0.94) MAOAMAOBSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL133103 0.86 SMN1; SMN2 (1.00) MAOAMAOBSMN1; SMN2TP53EPHX1
SCHEMBL11051606 0.84 MAOA (0.72) MAOAMAOBSMN1; SMN2TP53CASP3
Diphenylurea SCHEMBL29392345 0.84 SMN1; SMN2 (0.94) MAOAMAOBSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL28431956 0.84 SMN1; SMN2 (0.94) MAOAMAOBSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL3037927 0.84 SMN1; SMN2 (0.94) MAOAMAOBSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL30786615 0.84 SMN1; SMN2 (0.94) MAOAMAOBSMN1; SMN2TP53EPHX1
SCHEMBL12644777 0.83 MAOA (0.71) MAOAMAOBSMN1; SMN2TP53EPHX1
SCHEMBL172819 0.82 HPSE (0.72) MAOAMAOBSMN1; SMN2TP53KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444024-A Method for synthesizing polysubstituted ureas, thioureas, chiral ureas and thioureas compounds without catalyst and solvent 安徽师范大学 2021-09-28 CN claimed
US-11834482-B2 Agents modulating beta-catenin functions and methods thereof FOG PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
CN-113444024-A Method for synthesizing polysubstituted ureas, thioureas, chiral ureas and thioureas compounds without catalyst and solvent 安徽师范大学 2021-09-28 CN disclosed
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
CN-107428692-A Substituted monoazanaphthalene derivatives and polyazanaphthalene derivatives and use thereof 巴斯利尔药物国际股份公司 2017-12-01 CN disclosed
CN-105007908-B Use of agonists of formyl peptide receptor 2 for the treatment of skin diseases 阿勒根公司 2017-10-03 CN disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
CN-101541781-A Morpholino pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB (SE) 2009-09-23 CN disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 US disclosed
WO-2005030779-A2 LAULIMALIDE ANALOGS WITH ANTI-CANCER ACTIVITITY EISAI CO. LTD. (JP) 2005-04-07 WO disclosed
US-6307067-B1 Palladium and boron co-catalyzed addition of oxygen nucleophiles to vinyl epoxides THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2001-10-23 US disclosed
EP-1112240-A1 THE ADDITION OF OXYGEN NUCLEOPHILES TO VINYL EPOXIDES The Board of Trustees of The Leland S. Stanford Junior University (US) 2001-07-04 EP disclosed
WO-2000014033-A1 THE ADDITION OF OXYGEN NUCLEOPHILES TO VINYL EPOXIDES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-03-16 WO disclosed
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 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 (5 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR MAOA 4022/4885MAOB 3491/4885SMN1; SMN2 2807/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX MAOA 3503/4885MAOB 1081/4885SMN1; SMN2 2225/4885
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 MAOA 766/4885MAOB 877/4885SMN1; SMN2 3880/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 MAOA 761/4885MAOB 877/4885SMN1; SMN2 3874/4885
US-11834482-B2 Agents modulating beta-catenin functions and methods thereof CTNNB1, CTNNBL1, CTNNA1 MAOA 4628/4885MAOB 4537/4885SMN1; SMN2 925/4885

“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.