SCHEMBL5628592

SCHEMBL5628592

CCS(=O)(=O)N(CCNC(C)=O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.44
MTNR1B P49286 11/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
DHFR P00374 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL5627355 0.87 MTNR1A (0.45) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL3871735 0.79 MTNR1A (0.46) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL5624184 0.78 TSHR (0.36) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL2156595 0.78 ALDH1A1 (0.55) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL5623729 0.76 MTNR1A (0.49) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL5624837 0.75 MTNR1A (0.45) MTNR1AMTNR1BLMNATSHRCYP2C19
SCHEMBL3157904 0.75 ALDH1A1 (0.41) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL5624368 0.72 LMNA (0.45) LMNATSHRCYP2C19ALDH1A1MMP2
SCHEMBL3944763 0.71 SMN1; SMN2 (0.39) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL9214290 0.69 LOX (0.57) LMNATSHRCYP2C19ALDH1A1DHFR

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 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.