SCHEMBL5637895

SCHEMBL5637895

CN(C)CCCOc1ccc(I)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HRH3 Q9Y5N1 4/20 0.65
LSS P48449 1/20 0.62
PDE1A P54750 7/20 0.61
PDE1B Q01064 7/20 0.61
PDE1C Q14123 7/20 0.61
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL2645547 0.90 HRH3 (0.63) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9671156 0.89 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL12230255 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9440426 0.82 LTA4H (0.73) KDM4EALDH1A1SMN1; SMN2HRH3PDE1A
SCHEMBL8226392 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL16314649 0.80 FDPS (0.48) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL15978587 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3444779 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL6784753 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL12110236 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS

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
US-11730717-B1 Melanin-inspired antimicrobial The Board of Regents for the Oklahoma Agricultural and Mechanical Colleges (US) 2023-08-22 US disclosed
US-11730717-B1 Melanin-inspired antimicrobial The Board of Regents for the Oklahoma Agricultural and Mechanical Colleges (US) 2023-08-22 US disclosed
US-11730717-B1 Melanin-inspired antimicrobial The Board of Regents for the Oklahoma Agricultural and Mechanical Colleges (US) 2023-08-22 US 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
US-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2021-05-06 US disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 US disclosed
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIV FLORIDA (US) 2017-06-15 US disclosed
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIV FLORIDA (US) 2017-06-15 US disclosed
US-9549549-B2 Antimicrobial materials and methods STC.UNM (US) 2017-01-24 US disclosed
US-9549549-B2 Antimicrobial materials and methods STC.UNM (US) 2017-01-24 US disclosed
US-20160031910-A1 LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2016-02-04 US disclosed
US-20160031910-A1 LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2016-02-04 US disclosed
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-28 US disclosed
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-28 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-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
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-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 (8 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-11730717-B1 Melanin-inspired antimicrobial TYR, MCHR1, EEA1 KDM4E 192/4885ALDH1A1 2565/4885SMN1; SMN2 4555/4885
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 KDM4E 372/4885ALDH1A1 1876/4885SMN1; SMN2 3616/4885
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-20160031910-A1 LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS SLC6A12, LGALS3, LBR KDM4E 3365/4885ALDH1A1 1624/4885SMN1; SMN2 4399/4885
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
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT KDM4E 2673/4885ALDH1A1 2629/4885SMN1; SMN2 4458/4885
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT KDM4E 2673/4885ALDH1A1 2629/4885SMN1; SMN2 4458/4885

“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.