SCHEMBL6784753

SCHEMBL6784753

CN(C)CCCOc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HRH3 Q9Y5N1 4/20 0.65
LSS P48449 2/20 0.62
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
LTA4H P09960 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ESRRB O95718 1/20 0.49
ESRRG P62508 1/20 0.49

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
SCHEMBL578271 0.90 HRH3 (0.63) KDM4EALDH1A1SMN1; SMN2HRH3KEAP1
SCHEMBL9671156 0.89 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9773251 0.88 HRH3 (0.61) KDM4EALDH1A1SMN1; SMN2HRH3KEAP1
SCHEMBL8226392 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL10894213 0.81 KDM4E (0.58) KDM4EALDH1A1HRH3
SCHEMBL18235025 0.80 DRD4 (0.57) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL17445905 0.80 ATM (0.60) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL5637895 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL1477066 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL15978587 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318287-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2018-11-08 US disclosed
EP-3371183-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-09-12 EP disclosed
WO-2017076895-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 WO disclosed
WO-2017076895-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 WO disclosed
US-6693137-B1 GLUTAMATE RECEPTOR POTENTIATION ELI LILLY AND COMPANY 2004-02-17 US disclosed
EP-0994110-B1 Sulphonamide derivatives LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-0994110-A1 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-4623660-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-18 US disclosed
EP-0002097-B1 TRIPHENYLALKENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-05 EP 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 (1 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-20180318287-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, BRCA1, CHEK2 KDM4E 2662/4885ALDH1A1 1549/4885SMN1; SMN2 1252/4885

“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.