SCHEMBL6017370

SCHEMBL6017370

COC(=O)c1ccnc(CN2CCN(CC(=O)NCC(=O)O)CCN(CC(=O)NCC(=O)O)CCN(CC(=O)NCC(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM5C P41229 2/20 0.47
▸ KDM4C Q9H3R0 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ KDM3A Q9Y4C1 1/20 0.44
▸ TSHR P16473 3/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL6017283 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL9736097 0.81 KDM4C (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL1287025 0.78 KDM5C (0.51) ALDH1A1KMT2ASMN1; SMN2HSD17B10KDM5C
SCHEMBL28431838 0.76 KDM5C (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL28441622 0.75 KDM4C (0.71) ALDH1A1MEN1KMT2AKDM5CKDM4C
SCHEMBL28431879 0.74 KDM5C (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2KDM5C
SCHEMBL1287113 0.73 NPC1 (0.45) MEN1KMT2ASMN1; SMN2KDM5CKDM4C
SCHEMBL28444103 0.72 JMJD6 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL28436634 0.72 KDM5C (0.48) ALDH1A1KDM5CKDM4CJMJD6
SCHEMBL1287029 0.72 KDM4C (0.44) SMN1; SMN2KDM5CKDM4CKDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060275217-A1 Chemical exchange saturation transfer contrast agents EPIX PHARMACEUTICALS, INC. 2006-12-07 — — US disclosed
WO-2006121889-A2 CHEMICAL EXCHANGE SATURATION TRANSFER CONTRAST AGENTS EPIX PHARMACEUTICALS, INC. (US) 2006-11-16 — — 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-20060275217-A1 Chemical exchange saturation transfer contrast agents SLC39A11, SLC30A7, SLC39A7 ALDH1A1 4811/4885MEN1 558/4885KMT2A 850/4885

“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.

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