SCHEMBL5440784

SCHEMBL5440784

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.71
MAPT P10636 11/20 0.65
MAOB P27338 1/20 0.59
ALDH1A1 P00352 8/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
MAPK1 P28482 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP19A1 P11511 1/20 0.54
LMNA P02545 2/20 0.53
ATM Q13315 2/20 0.53
HSP90AA1 P07900 1/20 0.53

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
SCHEMBL5440780 1.00 SOS1 (0.71) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL10405612 0.92 SOS1 (0.63) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL10405613 0.92 SOS1 (0.63) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL11049170 0.91 MAPT (0.69) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL9978289 0.91 MAPT (0.69) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL14935499 0.91 MAPT (0.69) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL9622795 0.91 SOS1 (0.61) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL9622793 0.91 SOS1 (0.61) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL566396 0.90 SOS1 (0.65) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL3846864 0.90 SOS1 (0.65) SOS1MAPTMAOBALDH1A1RAB9A

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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US disclosed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US disclosed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles IDO1, IDO2, TPH1 SOS1 2011/4885MAPT 2911/4885MAOB 7/4885

“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.