SCHEMBL4412157

SCHEMBL4412157

COc1cc(OC)cc(N2CCN(CCN)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
DRD2 P14416 3/20 0.55
KCNH2 Q12809 2/20 0.55
ADRB1 P08588 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.46
HTR1A P08908 5/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
LMNA P02545 1/20 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
SCHEMBL3196645 0.89 HSD17B10 (0.71) HSD17B10DRD2KCNH2ADRB1CYP2D6
Hydrochloric Acid SCHEMBL3194761 0.88 HSD17B10 (0.69) HSD17B10DRD2KCNH2ADRB1CYP2D6
SCHEMBL4251574 0.87 HSD17B10 (0.82) HSD17B10DRD2ADRB1MEN1KMT2A
SCHEMBL1307825 0.86 KCNH2 (0.76) HSD17B10DRD2KCNH2ADRB1ALDH1A1
SCHEMBL4395789 0.80 HSD17B10 (0.55) HSD17B10DRD2KCNH2ALDH1A1CYP2D6
SCHEMBL3196635 0.79 KCNH2 (0.55) HSD17B10DRD2KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL3194757 0.78 KCNH2 (0.53) HSD17B10DRD2KCNH2MEN1KMT2A
SCHEMBL11354876 0.78 HSD17B10 (1.00) HSD17B10DRD2KCNH2MEN1KMT2A
SCHEMBL4395362 0.77 HTR1A (0.56) HSD17B10DRD2MEN1KMT2AALDH1A1
SCHEMBL20680083 0.77 DRD2 (0.49) HSD17B10DRD2KCNH2ADRB1MEN1

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 2297/4885DRD2 3882/4885KCNH2 3845/4885

“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.