SCHEMBL4080352

SCHEMBL4080352

COC(=O)COc1cccc(/C(OC)=C2\C(=O)N(C(C)=O)c3cc(F)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
HTR7 P34969 1/20 0.36
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3527361 1.00 KMT2A (0.41) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3524888 0.91 KMT2A (0.42) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3524885 0.91 KMT2A (0.42) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3529168 0.89 HTR7 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4076267 0.89 HTR7 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3529735 0.86 RAB9A (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3529737 0.86 RAB9A (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3527272 0.86 BRD4 (0.36) KMT2AALDH1A1MAOBMEN1MRGPRX4
SCHEMBL3527269 0.86 BRD4 (0.36) KMT2AALDH1A1MAOBMEN1MRGPRX4
SCHEMBL3527112 0.85 SLC7A5 (0.37) MAOBHPGDMRGPRX4HTR7PDK2

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
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
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-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 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-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US 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 (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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR KMT2A 2965/4885ALDH1A1 3469/4885CYP1A2 1517/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KMT2A 3530/4885ALDH1A1 2036/4885CYP1A2 505/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR KMT2A 2965/4885ALDH1A1 3469/4885CYP1A2 1517/4885

“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.