SCHEMBL4486369

SCHEMBL4486369

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.49
MAPT P10636 4/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GSTO1 P78417 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
TLR9 Q9NR96 1/20 0.45
MGLL Q99685 2/20 0.44
GAA P10253 1/20 0.43
MMP14 P50281 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APEX1 P27695 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4505769 0.81 TMEM97 (0.70) POLBHTTKMT2AMAPTTMEM97
SCHEMBL4493528 0.80 HPGD (0.47) POLBRAB9AALDH1A1KDM4E
SCHEMBL2679486 0.80 KDM4E (0.52) HTTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7915462 0.78 HTT (0.85) POLBHTTKMT2AMAPTNPC1
SCHEMBL14217390 0.77 CNR1 (0.62) KMT2ATMEM97SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL3146418 0.76 POLB (0.49) POLBHTTKMT2AMAPTSIGMAR1
SCHEMBL4496741 0.75 MMP13 (0.59) POLBHTTKMT2AMAPTALDH1A1
SCHEMBL3158005 0.74 ALDH1A1 (0.60) POLBHTTKMT2AMAPTRAB9A
SCHEMBL3144557 0.73 MAPT (0.50) POLBHTTMAPTNPC1RAB9A
SCHEMBL6941718 0.73 MAPT (0.57) POLBHTTKMT2AMAPTALDH1A1

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 POLB 4146/4885HTT 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.