SCHEMBL4406529

SCHEMBL4406529

NC(=O)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 7/20 0.60
TDP1 Q9NUW8 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
MDM2 Q00987 2/20 0.57
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 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
SCHEMBL7356339 0.84 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL4500807 0.84 KDM4E (0.56) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL8343540 0.83 HTR1A (0.65) ALDH1A1KDM4ETDP1NPSR1HTR1A
Hydrochloric Acid SCHEMBL1371732 0.83 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL5538980 0.83 KDM4E (0.61) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL20888096 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL16862217 0.82 HTR1A (0.64) HTR1ADRD2DRD4DRD3
SCHEMBL4405017 0.81 THRB (0.65) ALDH1A1KDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL19105536 0.80 KDM4E (0.45) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR
SCHEMBL4327175 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1SMN1; SMN2TSHR

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
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-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
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 ALDH1A1 706/4885KDM4E 4278/4885TDP1 4243/4885

“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.