SCHEMBL5367770

SCHEMBL5367770

CC(C)(C)c1cc(C=O)cc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PIN1 Q13526 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
CTSV O60911 1/20 0.39

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
SCHEMBL5366582 0.86 MAOA (0.51) MAOAMAOBNPC1RAB9AALDH1A1
SCHEMBL5369726 0.80 MAOA (0.46) MAOAMAOBNPC1RAB9AALDH1A1
SCHEMBL5365873 0.80 MAOA (0.46) MAOAMAOBKMT2ARAB9AALDH1A1
SCHEMBL5368735 0.80 MAOA (0.46) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL5361776 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL14519134 0.77 GSK3B (0.49) MAPT
SCHEMBL1406410 0.75 MAOB (0.44) MAOAMAOBNPC1AR
SCHEMBL4643645 0.75 CTSV (0.57) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL29014226 0.74 XDH (0.51) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL3235715 0.73 MAOA (0.52) MAOAMAOBMEN1KMT2ANPC1

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-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK MAOA 1231/4885MAOB 867/4885PIN1 796/4885

“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.