SCHEMBL5623968

SCHEMBL5623968

O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
GLA P06280 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
HPGD P15428 2/20 0.84
ALOX12 P18054 1/20 0.84
MAPT P10636 13/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 1/20 0.59
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GSTO1 P78417 1/20 0.55

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
SCHEMBL18180862 0.87 MAPT (0.84) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL7984789 0.83 MAPT (0.64) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL113771 0.82 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9003269 0.82 MAPT (0.70) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL14252852 0.81 ALDH1A1 (0.83) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL24648 0.81 MAPT (0.62) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5410171 0.80 ALDH1A1 (0.56) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL3832753 0.79 KMT2A (0.65) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL7031715 0.78 CNR1 (0.62) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5656915 0.78 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 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 (3 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-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 ALDH1A1 1242/4885GLA 4115/4885SMN1; SMN2 3748/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 ALDH1A1 1242/4885GLA 4115/4885SMN1; SMN2 3748/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 ALDH1A1 1477/4885GLA 3662/4885SMN1; SMN2 3484/4885

“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.