SCHEMBL6804938

SCHEMBL6804938

N#Cc1ccc(Cc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.64
PARP15 Q460N3 1/20 0.64
PARP2 Q9UGN5 1/20 0.64
PLA2G10 O15496 1/20 0.61
PLA2G2A P14555 1/20 0.61
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
CYP17A1 P05093 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GSK3B P49841 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.48
IDO1 P14902 2/20 0.47
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
MYC P01106 1/20 0.45
KDM1A O60341 1/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL322070 0.88 PARP15 (0.78) PARP10PARP15PARP2CA1CA2
Hydrochloric Acid SCHEMBL406803 0.86 PARP15 (0.75) PARP10PARP15PARP2CA1CA2
SCHEMBL9018808 0.85 SAE1 (0.61) SAE1UBA2CA1CA2GSK3B
SCHEMBL7134591 0.84 PLA2G10 (0.83) PARP10PARP15PARP2PLA2G10PLA2G2A
SCHEMBL580582 0.81 PARP15 (0.48) PARP10PARP15PARP2PLA2G10PLA2G2A
SCHEMBL1344068 0.79 LOXL2 (0.65) SAE1UBA2CA2LOXL2IDO1
SCHEMBL28578951 0.79 PARP15 (0.66) PARP10PARP15PARP2CA1CA2
SCHEMBL28950907 0.79 PARP10 (0.66) PARP10PARP15PARP2CA1CA2
SCHEMBL6629777 0.78 PARP10 (1.00) PARP10PARP15PARP2CA1CA2
SCHEMBL11819138 0.77 PLA2G10 (0.61) PARP10PARP15PARP2PLA2G10PLA2G2A

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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK PARP10 2792/4885PARP15 1220/4885PARP2 2741/4885

“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.