SCHEMBL3157698

SCHEMBL3157698

Nc1ccc(CN2CCc3ccc(Cl)cc3CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.53
ACACB O00763 1/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 6/20 0.45
KCNH2 Q12809 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 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
SCHEMBL3156676 0.91 ACACB (0.51) LMNAALDH1A1ACACBKDM4ESIGMAR1
SCHEMBL3161336 0.91 ACACB (0.57) LMNAALDH1A1ACACBDRD4KDM4E
SCHEMBL3148573 0.85 LMNA (0.59) LMNAALDH1A1DRD2KDM4ESIGMAR1
SCHEMBL3161817 0.83 LMNA (0.57) LMNAALDH1A1DRD2DRD4SIGMAR1
SCHEMBL6962643 0.82 ACACB (0.51) LMNAALDH1A1ACACBDRD4KDM4E
SCHEMBL3155925 0.82 LMNA (0.62) LMNAALDH1A1DRD2KDM4ESIGMAR1
SCHEMBL3148037 0.80 HDAC1 (0.65) LMNADRD2DRD4SIGMAR1KCNH2
SCHEMBL3159818 0.79 DRD2 (0.57) LMNAALDH1A1DRD2DRD4KDM4E
SCHEMBL3154326 0.78 SIGMAR1 (0.54) LMNAALDH1A1KDM4ESIGMAR1
SCHEMBL3143129 0.77 KMT2A (0.64) LMNAKDM4E

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
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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 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 (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 LMNA 1884/4885ALDH1A1 2036/4885ACACB 4296/4885

“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.