SCHEMBL21064517

SCHEMBL21064517

COc1ccc(CCC(=O)N2CCc3c(nc(N)[nH]c3=O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.53
▸ FKBP1A P62942 1/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43
▸ TYMS P04818 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL31087186 0.72 ALDH1A1 (0.51) GPBAR1FKBP1AKMT2AALDH1A1TSHR
SCHEMBL10305162 0.69 FKBP1A (0.76) FKBP1AKMT2AALDH1A1MEN1KDM4E
SCHEMBL22424056 0.69 CLPP (0.56) KDM4ESMN1; SMN2MAPTLMNAPKM
SCHEMBL4990962 0.68 SMN1; SMN2 (0.54) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL28671519 0.68 CLPP (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL22424581 0.66 CLPP (0.52) KMT2ANPC1MAPTLMNAPKM
SCHEMBL21064505 0.66 ADORA2A (0.38) KMT2AMEN1KDM4ETYMSSMN1; SMN2
SCHEMBL16099191 0.65 FKBP1A (0.55) GPBAR1FKBP1AKMT2AALDH1A1MEN1
SCHEMBL14218027 0.65 FKBP1A (0.69) FKBP1AKMT2AALDH1A1MEN1KDM4E
SCHEMBL22410754 0.65 P2RX3 (0.51) ALDH1A1KDM4EHDAC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308656-B2 Small molecule inhibitors of Ku70/80 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-06-04 — — US 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-10308656-B2 Small molecule inhibitors of Ku70/80 and uses thereof XRCC6, XRCC5, RAD50 GPBAR1 4644/4885FKBP1A 2217/4885KMT2A 1183/4885

“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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