SCHEMBL4490731

SCHEMBL4490731

CN(C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPT P10636 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL4481842 0.91 SIGMAR1 (0.66) SIGMAR1POLBHTTALDH1A1CYP1A2
SCHEMBL14415492 0.85 SIGMAR1 (0.66) SIGMAR1POLBALDH1A1CYP1A2CYP2C19
SCHEMBL14415489 0.82 SIGMAR1 (0.61) SIGMAR1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL3804808 0.80 SIGMAR1 (0.58) SIGMAR1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL3936910 0.79 BCHE (0.50) POLBHTTALDH1A1TSHRCRHBP
SCHEMBL4500145 0.79 PHLPP2 (0.43) SIGMAR1OPRK1TSHR
SCHEMBL8835994 0.78 SIGMAR1 (0.57) SIGMAR1ALDH1A1MAPTKCNH2
SCHEMBL14415479 0.77 SIGMAR1 (0.56) SIGMAR1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL7598909 0.77 CRHBP (0.58) SIGMAR1ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL11132823 0.77 KCNH2 (0.57) SIGMAR1MAPTKCNH2TSHRCRHBP

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 SIGMAR1 916/4885POLB 4146/4885HTT 3112/4885

“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.