SCHEMBL5623729

SCHEMBL5623729

CC(=O)NCCN(C(C)=O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.49
MTNR1B P49286 18/20 0.49
LMNA P02545 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL5624837 0.86 MTNR1A (0.45) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL5627524 0.84 MAPT (0.44) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL11855609 0.83 MTNR1A (0.70) MTNR1AMTNR1BALDH1A1TSHRCYP2C19
SCHEMBL2156595 0.79 ALDH1A1 (0.55) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL3871735 0.78 MTNR1A (0.46) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL3142097 0.78 PHLPP2 (0.46) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL5626960 0.78 LMNA (0.51) LMNAALDH1A1
SCHEMBL5627355 0.77 MTNR1A (0.45) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL5627354 0.77 CYP3A4 (0.41) MTNR1AMTNR1BLMNASLC22A2SLC22A1
SCHEMBL7279376 0.77 CYP3A4 (0.47) LMNAALDH1A1TSHRMAPK1CYP2C19

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 6 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
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

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 MTNR1A 608/4885MTNR1B 709/4885LMNA 1494/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MTNR1A 608/4885MTNR1B 709/4885LMNA 1494/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 MTNR1A 518/4885MTNR1B 576/4885LMNA 773/4885

“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.