SCHEMBL3158281

SCHEMBL3158281

CN(C(=O)CCN1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 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
SCHEMBL4481019 0.89 LMNA (0.46) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3148838 0.85 DRD4 (0.48) SIGMAR1ALDH1A1KMT2ALMNAGFER
SCHEMBL14174854 0.85 KMT2A (0.52) L3MBTL1ALDH1A1KMT2ALMNATP53
SCHEMBL28414522 0.85 POLB (0.47) L3MBTL1KMT2ATP53MAPTHTT
Water SCHEMBL11239429 0.84 ALDH1A1 (0.42) L3MBTL1ALDH1A1KMT2ALMNATP53
Water SCHEMBL11239433 0.84 ALDH1A1 (0.42) L3MBTL1ALDH1A1KMT2ALMNATP53
SCHEMBL3158672 0.84 DRD4 (0.49) SIGMAR1ALDH1A1LMNAGFERHTT
SCHEMBL3149267 0.81 SIGMAR1 (0.58) SIGMAR1ALDH1A1LMNAOPRK1
SCHEMBL30921473 0.81 DRD4 (0.49) SIGMAR1ALDH1A1LMNATP53GFER
SCHEMBL3154655 0.80 TGM2 (0.46) L3MBTL1ALDH1A1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP 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-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-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 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 916/4885L3MBTL1 4639/4885ALDH1A1 2036/4885

“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.