SCHEMBL4395789

SCHEMBL4395789

COc1ccc(N2CCN(CCN)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
HTR7 P34969 1/20 0.54
DRD2 P14416 3/20 0.48
KCNH2 Q12809 1/20 0.48
SUV39H2 Q9H5I1 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
DPP4 P27487 2/20 0.44

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
SCHEMBL3196772 0.90 HSD17B10 (0.62) HSD17B10HTR7DRD2KCNH2CYP2D6
Hydrochloric Acid SCHEMBL3188909 0.89 HSD17B10 (0.60) HSD17B10HTR7DRD2KCNH2SUV39H2
SCHEMBL13362032 0.88 HSD17B10 (0.52) HSD17B10HTR7DRD2KCNH2SUV39H2
SCHEMBL5240099 0.83 HTR7 (0.58) HTR7DRD2ALDH1A1CYP1A2CYP3A4
SCHEMBL10995564 0.82 KCNH2 (0.52) HSD17B10HTR7DRD2KCNH2POLB
SCHEMBL3196764 0.82 HTR1A (0.51) HSD17B10HTR7DRD2KCNH2SUV39H2
Hydrochloric Acid SCHEMBL3188893 0.81 HTR1A (0.50) HSD17B10HTR7DRD2KCNH2SUV39H2
SCHEMBL13243994 0.80 SIRT6 (0.63) HTR7DRD2ALDH1A1MAPTPOLB
SCHEMBL4251574 0.80 HSD17B10 (0.82) HSD17B10HTR7DRD2ALDH1A1MAPT
SCHEMBL4412157 0.80 HSD17B10 (0.63) HSD17B10HTR7DRD2KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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 (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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 HSD17B10 2297/4885HTR7 175/4885DRD2 3882/4885

“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.