SCHEMBL2549786

SCHEMBL2549786

COC(=O)COc1ccc(Br)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
CXCR1 P25024 3/20 0.53
CXCR2 P25025 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.40
DGAT1 O75907 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1404080 0.84 KDM4E (0.54) KDM4ECXCR1CXCR2SMN1; SMN2POLB
SCHEMBL23348624 0.83 KDM4E (0.50) KDM4ECXCR1CXCR2SMN1; SMN2ALDH1A1
SCHEMBL6638177 0.81 CXCR1 (0.55) KDM4ECXCR1CXCR2SMN1; SMN2POLB
SCHEMBL3562724 0.81 KDM4E (0.54) KDM4EPOLBALDH1A1TSHRMAPT
SCHEMBL5845815 0.80 CXCR1 (0.53) KDM4ECXCR1CXCR2SMN1; SMN2POLB
SCHEMBL17863625 0.79 KDM4E (0.52) KDM4ECXCR1CXCR2SMN1; SMN2POLB
SCHEMBL12476341 0.79 CXCR1 (0.61) CXCR1CXCR2SMN1; SMN2POLBMAPT
SCHEMBL2558998 0.78 CXCR1 (0.51) KDM4ECXCR1CXCR2SMN1; SMN2POLB
SCHEMBL5208255 0.77 TSHR (0.50) CXCR1CXCR2SMN1; SMN2HPGDTSHR
SCHEMBL14659317 0.76 RAB9A (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 KDM4E 2832/4885CXCR1 19/4885CXCR2 93/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 KDM4E 2832/4885CXCR1 19/4885CXCR2 93/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC KDM4E 1140/4885CXCR1 4517/4885CXCR2 4743/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KDM4E 2265/4885CXCR1 4378/4885CXCR2 4685/4885

“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.