SCHEMBL4485376

SCHEMBL4485376

Nc1ccc(/C(Nc2ccc(CN3CCCC3)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 4/20 0.37
CHRM1 P11229 3/20 0.37
HTR2A P28223 3/20 0.37
F10 P00742 2/20 0.36
TNF P01375 1/20 0.35
TNIK Q9UKE5 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3937661 1.00 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AACHE
SCHEMBL3937655 1.00 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AACHE
SCHEMBL3930207 0.89 LMNA (0.42) ALDH1A1MAPTMEN1KMT2AACHE
SCHEMBL3930212 0.89 LMNA (0.42) ALDH1A1MAPTMEN1KMT2AACHE
SCHEMBL4504149 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3933915 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3933922 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4491694 0.82 GAA (0.45) ALDH1A1MAPTACHELMNAMCHR1
SCHEMBL4491690 0.82 GAA (0.45) ALDH1A1MAPTACHELMNAMCHR1
SCHEMBL4490221 0.81 GAA (0.47) ALDH1A1MAPTMEN1KMT2AACHE

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ALDH1A1 2036/4885MAPT 545/4885MEN1 1288/4885

“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.