SCHEMBL4495686

SCHEMBL4495686

CN1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ AR P10275 11/20 0.55
▸ HRH4 Q9H3N8 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL31349202 0.78 SLC6A9 (0.57) ARGAA
SCHEMBL12438322 0.76 MAPK1 (0.44) L3MBTL1ARALDH1A1MEN1KMT2A
SCHEMBL1662655 0.76 AR (0.51) L3MBTL1ARALDH1A1MEN1KMT2A
SCHEMBL4476856 0.75 AR (0.47) L3MBTL1ARHRH4HPGDMEN1
SCHEMBL2796432 0.75 POLB (0.49) L3MBTL1ARHRH4ALDH1A1HPGD
SCHEMBL2114774 0.74 AR (0.51) L3MBTL1ARALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL6151019 0.74 AR (0.50) L3MBTL1ARALDH1A1MEN1KMT2A
SCHEMBL2399432 0.74 ALDH1A1 (0.43) L3MBTL1ARALDH1A1MEN1KMT2A
SCHEMBL5750827 0.74 AR (0.40) L3MBTL1ARALDH1A1HPGDMEN1
SCHEMBL1842400 0.74 KMT2A (0.58) ALDH1A1GAAKMT2A

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — WO 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 L3MBTL1 4639/4885AR 482/4885HRH4 990/4885

“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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