SCHEMBL14675504

SCHEMBL14675504

COC(NC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.47
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL8704293 0.86 KMT2A (0.50) KMT2ATSHRKEAP1NFE2L2ALDH1A1
SCHEMBL15514630 0.86 KMT2A (0.50) KMT2ATSHRRXFP1LMNAPKM
SCHEMBL6254665 0.85 LMNA (0.53) KMT2ATSHRLMNAPKMALDH1A1
SCHEMBL8698619 0.83 LMNA (0.53) TSHRRXFP1LMNAALDH1A1GAA
SCHEMBL11405723 0.82 KMT2A (0.46) KMT2ATSHRKEAP1NFE2L2ALDH1A1
SCHEMBL8751390 0.81 KMT2A (0.44) KMT2ATSHRLMNAALDH1A1HPGD
SCHEMBL29222241 0.80 TSHR (0.49) KMT2ATSHRLMNAALDH1A1GAA
SCHEMBL1767654 0.80 KMT2A (0.44) KMT2ATSHRLMNAALDH1A1GAA
SCHEMBL11784358 0.80 TGM2 (0.44) KMT2ATSHRALDH1A1GAAHPGD
SCHEMBL4196218 0.78 CYP1A2 (0.47) KMT2ATSHRALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US claimed
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÁRL (CH) 2014-09-18 US claimed
CN-117580841-A Macrocyclic compounds and uses thereof 特修斯制药公司 2024-02-20 CN disclosed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
EP-2956774-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION Imabiotech (FR) 2015-12-23 EP disclosed
EP-2956437-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Centre de Cooperation Internationale en Recherche Agronomique pour le Developpement (FR) 2015-12-23 EP disclosed
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014170295-A1 COMPOUNDS POTENTIATING THE ACTIVITY OF ANTIFUNGAL DRUGS FUNDACIÓN MEDINA. CENTRO DE EXCELENCIA EN INVESTIGACIÓN DE MEDICAMENTOS INNOVADORES EN ANDALUCÍA (ES) 2014-10-23 WO disclosed
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÁRL (CH) 2014-09-18 US disclosed
US-8829184-B2 Intermediates useful for the synthesis of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2014-09-09 US disclosed
WO-2014125112-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION IMABIOTECH (FR) 2014-08-21 WO disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 WO disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-20130035484-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-02-07 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 (4 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 KMT2A 4398/4885TSHR 3877/4885RXFP1 3054/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 KMT2A 4398/4885TSHR 3877/4885RXFP1 3054/4885
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES ORC3, OXER1, SCO2 KMT2A 2003/4885TSHR 1536/4885RXFP1 745/4885
US-20130035484-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES CYP11B2, CYP1B1, CYP11B1 KMT2A 1249/4885TSHR 1336/4885RXFP1 3399/4885

“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.