SCHEMBL9933768

SCHEMBL9933768

COCCN1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.45
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
AGTR1 P30556 1/20 0.38
S100A4 P26447 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MCL1 Q07820 2/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL1948769 0.82 S100A4 (0.42) IDH1ALDH1A1HTTRAB9ALMNA
SCHEMBL9934256 0.79 IDH1 (0.48) IDH1PARP1ALDH1A1HTTRAB9A
SCHEMBL30908473 0.78 IDH1 (0.48) IDH1RAB9AKMT2AMAPTHPGD
SCHEMBL31598720 0.78 S100A4 (0.46) ALDH1A1HTTRAB9ALMNAS100A4
SCHEMBL5906644 0.78 S100A4 (0.46) ALDH1A1HTTRAB9ALMNAS100A4
SCHEMBL9933485 0.78 S100A4 (0.40) ALDH1A1HTTRAB9ALMNAAGTR1
SCHEMBL9932906 0.78 S100A4 (0.40) ALDH1A1HTTRAB9ALMNAAGTR1
SCHEMBL16706320 0.76 GAA (0.38) ALDH1A1HTTRAB9ALMNAKMT2A
SCHEMBL14348206 0.76 DHPS (0.54) IDH1ALDH1A1HTTLMNAKMT2A
SCHEMBL7950879 0.76 ALDH1A1 (0.42) ALDH1A1HTTRAB9ALMNAS100A4

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 IDH1 1995/4885PARP1 2652/4885ALDH1A1 820/4885

“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.