SCHEMBL22130470

SCHEMBL22130470

O=C(Nc1nnn[nH]1)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
F10 P00742 2/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ICMT O60725 4/20 0.42
CCR1 P32246 2/20 0.42
NAE1 Q13564 1/20 0.41
UBA3 Q8TBC4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CPT1A P50416 1/20 0.41
MAPT P10636 2/20 0.41
MAPK10 P53779 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SLC22A12 Q96S37 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
SCHEMBL22130445 0.80 PLK1 (0.47) SMN1; SMN2
SCHEMBL2659723 0.80 NPSR1 (0.54) PARP1F10MAPK1L3MBTL1ATM
SCHEMBL22130472 0.79 CREBBP (0.42) PTGER4ALDH1A1MAPTRXFP1
SCHEMBL28774047 0.75 PARP1 (0.52) PARP1MAPK1L3MBTL1ATMKDM4E
SCHEMBL6085894 0.74 TUBB4A (0.56) MAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24273227 0.72 CNR1 (0.54) F10MAPK1L3MBTL1KDM4ECCR1
SCHEMBL21042595 0.71 SMN1; SMN2 (0.59) ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL11559856 0.71 LRRK2 (0.65)
SCHEMBL8806145 0.70 YES1 (0.55) ALDH1A1ICMTMAPT
SCHEMBL4354844 0.70 ICMT (0.54) PARP1ALDH1A1SMN1; SMN2ICMTMAPT

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-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA PARP1 1557/4885F10 2781/4885MAPK1 4857/4885

“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.