SCHEMBL4493653

SCHEMBL4493653

CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.85
MEN1 O00255 2/20 0.85
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 1/20 0.56
POLB P06746 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ITK Q08881 1/20 0.52
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
SMO Q99835 1/20 0.47

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
SCHEMBL9001766 0.86 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL28638303 0.86 MEN1 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL7371040 0.86 MEN1 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL24497087 0.85 KMT2A (0.64) KMT2AMEN1ALDH1A1POLBHTT
SCHEMBL3931865 0.85 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL4330797 0.83 CCR5 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11455072 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL11262950 0.83 MEN1 (0.61) KMT2AMEN1
SCHEMBL27624912 0.82 MEN1 (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11682628 0.81 MEN1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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 9 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
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 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 (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 KMT2A 2176/4885MEN1 2916/4885ALDH1A1 1526/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KMT2A 3530/4885MEN1 1288/4885ALDH1A1 2036/4885

“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.