SCHEMBL3745130

SCHEMBL3745130

O=C1Nc2ccccc2/C1=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.71
▸ ABL1 P00519 2/20 0.71
▸ LCK P06239 2/20 0.71
▸ PDGFRB P09619 2/20 0.71
▸ PDGFRA P16234 2/20 0.71
▸ KDR P35968 2/20 0.71
▸ GSK3B P49841 2/20 0.71
▸ AURKB Q96GD4 2/20 0.71
▸ RPS6KA5 O75582 1/20 0.71
▸ LYN P07948 1/20 0.71
▸ MET P08581 1/20 0.71
▸ KIT P10721 1/20 0.71
▸ PIM1 P11309 1/20 0.71
▸ FGFR1 P11362 1/20 0.71
▸ SRC P12931 1/20 0.71
▸ PRKCA P17252 1/20 0.71
▸ FGFR3 P22607 1/20 0.71
▸ RPS6KB1 P23443 1/20 0.71
▸ MAPK3 P27361 1/20 0.71
▸ AKT1 P31749 1/20 0.71

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
SCHEMBL5695446 0.80 MAPT (0.59) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL5695396 0.80 MAPT (0.59) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL30019907 0.79 XDH (0.78) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL5481833 0.79 NPC1 (0.68) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL5481832 0.79 NPC1 (0.68) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL1394809 0.79 APP (0.64) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL1394810 0.79 APP (0.64) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL11268807 0.79 XDH (0.62) RPS6KA3ABL1LCKPDGFRBPDGFRA
SCHEMBL27515150 0.78 SOS1 (0.68) XDHMAPTTDP1TDP2CASP7
SCHEMBL14521054 0.78 XDH (0.52) RPS6KA3ABL1LCKPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 — — US claimed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 — — US disclosed
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 — — 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 (2 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 RPS6KA3 1532/4885ABL1 3058/4885LCK 2866/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT RPS6KA3 940/4885ABL1 2143/4885LCK 2309/4885

“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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