SCHEMBL4582840

SCHEMBL4582840

O=C(O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.63
ACKR3 P25106 1/20 0.61
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
RECQL P46063 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
AKR1B1 P15121 1/20 0.54
POLB P06746 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
SCHEMBL7462472 0.88 PTPN1 (0.60) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL30034590 0.87 PTPN1 (0.63) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL4808309 0.86 PTPN1 (0.61) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL30791550 0.86 PTPN1 (0.61) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL951041 0.86 PTPN1 (0.61) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL2065774 0.86 PTPN1 (0.61) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL4156900 0.85 ALDH1A1 (0.67) PTPN1ACKR3ALDH1A1MEN1KMT2A
SCHEMBL2828269 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2828273 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL9781025 0.83 ALDH1A1 (0.59) PTPN1ACKR3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879858-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF Vertex Pharmaceuticals, Inc. (US) 2008-01-23 EP claimed
WO-2006122072-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 WO claimed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO disclosed
CN-116710116-A Beta-sheet femoral bridge peptide Xeno-Interface株式会社 2023-09-05 CN disclosed
CN-114146056-A Modular compositions for scavenging soluble biomolecules and methods related thereto 纳米提克斯有限责任公司 2022-03-08 CN disclosed
CN-110662736-A Process for producing amide compound 学校法人中部大学 2020-01-07 CN disclosed
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2019-07-11 US disclosed
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2019-05-14 US disclosed
EP-3388429-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2018-10-17 EP disclosed
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 EP disclosed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 WO disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
CN-101175718-A Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMA (US) 2008-05-07 CN disclosed
EP-1879858-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF Vertex Pharmaceuticals, Inc. (US) 2008-01-23 EP disclosed
WO-2006122072-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 WO disclosed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 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-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 PTPN1 3458/4885ACKR3 94/4885ALDH1A1 725/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 PTPN1 3413/4885ACKR3 100/4885ALDH1A1 755/4885

“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.