Sugi Predict

Sugi Predict / Compounds / SCHEMBL4486085

SCHEMBL4486085

SCHEMBL4486085

CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.42
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ TNFSF11 O14788 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34

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
SCHEMBL18976144 0.82 KMT2A (0.54) ARHTTKMT2AMEN1HPGD
SCHEMBL18976150 0.81 AR (0.58) ARHTTKMT2AHPGD
SCHEMBL4486653 0.77 HRH4 (0.35) POLB
SCHEMBL1844640 0.76 TMEM97 (0.46) ARHTTKMT2APOLBHPGD
SCHEMBL12438322 0.74 MAPK1 (0.44) ARHTTKMT2APOLBMEN1
SCHEMBL1662655 0.74 AR (0.51) ARKMT2APOLBMEN1L3MBTL1
SCHEMBL5750827 0.72 AR (0.40) ARHTTKMT2APOLBMEN1
SCHEMBL2114774 0.72 AR (0.51) ARKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL6151019 0.72 AR (0.50) ARKMT2APOLBMEN1L3MBTL1
SCHEMBL2399432 0.72 ALDH1A1 (0.43) ARHTTKMT2APOLBMEN1

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 7 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
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 — — US disclosed
CN-1509270-A Indolinones substituted in the 6-position, process for their preparation and their use as kinase inhibitors ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-30 — — CN 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
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 — — 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 AR 955/4885HTT 4762/4885KMT2A 2176/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR AR 482/4885HTT 3112/4885KMT2A 3530/4885

“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.