SCHEMBL5637547

SCHEMBL5637547

CN(C)CCCOc1ccc(B(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HRH3 Q9Y5N1 4/20 0.59
LSS P48449 1/20 0.57
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ENPP2 Q13822 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LTA4H P09960 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
SCHEMBL1020230 0.91 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3CA1
SCHEMBL9671156 0.84 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL31090233 0.82 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3698312 0.81 THRA (0.52) HRH3CA1CA2
SCHEMBL2557697 0.81 FDPS (0.47) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL623764 0.81 CA1 (0.57) CA1CA2ENPP2LTA4H
SCHEMBL1477066 0.79 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
Hydrochloric Acid SCHEMBL10806159 0.78 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL1006706 0.78 NR5A1 (0.61) CA1CA2LTA4H
SCHEMBL2561437 0.78 CA2 (0.55) CA1CA2ENPP2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2023-01-10 US disclosed
CN-110312717-B Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2022-04-12 CN disclosed
US-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2021-05-06 US disclosed
EP-2755642-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES Seattle Genetics, Inc. (US) 2014-07-23 EP disclosed
WO-2013055990-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEATTLE GENETICS, INC. (US) 2013-04-18 WO disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-20050261331-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-11-24 US disclosed
US-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 US disclosed
EP-1539757-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1539758-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2004016610-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed
WO-2004016609-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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 (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-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof CHEK2, CHEK1, ATM KDM4E 1694/4885ALDH1A1 1975/4885SMN1; SMN2 2929/4885
US-20050261331-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 KDM4E 1691/4885ALDH1A1 1591/4885SMN1; SMN2 2616/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R KDM4E 2751/4885ALDH1A1 716/4885SMN1; SMN2 4137/4885
US-20050215582-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 KDM4E 1691/4885ALDH1A1 1591/4885SMN1; SMN2 2616/4885
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof CHEK2, CHEK1, ATM KDM4E 1694/4885ALDH1A1 1975/4885SMN1; SMN2 2929/4885

“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.