SCHEMBL4075702

SCHEMBL4075702

COc1cc(COC(C)=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12089620 0.90 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL12582215 0.90 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL18622508 0.90 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL26661473 0.89 RAB9A (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL11593077 0.88 RAB9A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL11593080 0.88 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL18657172 0.87 RAB9A (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL874473 0.87 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL29588785 0.87 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL14733954 0.87 NPC1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322694-A1 COMPOUND SUMITOMO CHEMICAL CO., LTD (JP) 2023-10-12 US disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 EP disclosed
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2017-03-16 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
US-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
WO-2015168809-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2015-11-12 WO disclosed
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US disclosed
US-20080265221-A1 TEMPLATED SEMICONDUCTOR PARTICLES AND METHODS OF MAKING 3M INNOVATIVE PROPERTIES COMPANY 2008-10-30 US disclosed
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-09-25 US disclosed
US-7413607-B2 Templated semiconductor particles and methods of making 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-08-19 US disclosed
US-20080152911-A1 TEMPLATED METAL PARTICLES AND METHODS OF MAKING 3M INNOVATIVE PROPERTIES COMPANY 2008-06-26 US disclosed
US-20080090812-A1 Pyrrolobenzodiazepine Therapeutic Agents Useful in the Treatment of Leukemias SPIROGEN LIMITED (GB) 2008-04-17 US disclosed
US-7344583-B2 Methods of making metal particles within cored dendrimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-03-18 US disclosed
WO-2007136997-A2 COLOR FORMING COMPOSITIONS AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-11-29 WO disclosed
US-20070269737-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-11-22 US disclosed
US-20070269737-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-11-22 US disclosed
US-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-08-16 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-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines CBR3, CBR1, CYCS SMN1; SMN2 3275/4885RAB9A 1751/4885NPC1 2018/4885
US-20230322694-A1 COMPOUND RAD51, NR0B1, XRN2 SMN1; SMN2 2344/4885RAB9A 862/4885NPC1 3269/4885
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same NGLY1, ELOVL6, ELOVL1 SMN1; SMN2 3292/4885RAB9A 3356/4885NPC1 499/4885
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF IDUA, IDE, PUF60 SMN1; SMN2 3940/4885RAB9A 4177/4885NPC1 4482/4885
US-20080090812-A1 Pyrrolobenzodiazepine Therapeutic Agents Useful in the Treatment of Leukemias BCL3, CBR3, BCL9 SMN1; SMN2 1711/4885RAB9A 1537/4885NPC1 1889/4885

“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.