SCHEMBL5956779

SCHEMBL5956779

COc1cc2c(cc1C(=O)NSc1ccncc1)OCC[C@@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 5/20 0.37
AAK1 Q2M2I8 1/20 0.34
KDM4C Q9H3R0 3/20 0.34
KDM6A O15550 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
HSD17B2 P37059 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5956487 1.00 KDM4D (0.37) KDM4DAAK1KDM4CKDM6ASMN1; SMN2
SCHEMBL5956670 0.90 KDM4C (0.36) KDM4DKDM4CKDM6ATRPV1HSD17B2
SCHEMBL5956615 0.90 KDM4C (0.36) KDM4DKDM4CKDM6ATRPV1HSD17B2
SCHEMBL5956745 0.89 KDM4D (0.35) KDM4DKDM4CKDM6ATRPV1HSD17B2
SCHEMBL5956580 0.89 KDM4D (0.35) KDM4DKDM4CKDM6ATRPV1HSD17B2
SCHEMBL5956673 0.84 USP30 (0.39) KDM4DKDM6ATRPV1HSD17B2TP53
SCHEMBL4452197 0.82 KDM4C (0.37) KDM4CSMN1; SMN2MAPK1NPC1ALDH1A1
SCHEMBL4440148 0.82 KDM4C (0.37) KDM4CSMN1; SMN2MAPK1NPC1ALDH1A1
SCHEMBL5956542 0.80 TRPV1 (0.34) KDM4DKDM6ATRPV1HSD17B2
SCHEMBL5956594 0.80 TRPV1 (0.34) KDM4DKDM6ATRPV1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KDM4D 2364/4885AAK1 396/4885KDM4C 2667/4885

“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.