SCHEMBL3149347

SCHEMBL3149347

CN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
SIGMAR1 Q99720 4/20 0.61
TMEM97 Q5BJF2 2/20 0.61
KCNH2 Q12809 3/20 0.58
CDC25C P30307 3/20 0.57
PYCR1 P32322 1/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL7596877 1.00 ALDH1A1 (0.63) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97
SCHEMBL3143117 0.94 KCNH2 (0.64) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97
SCHEMBL3143221 0.89 CRHBP (0.71) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97
SCHEMBL3156945 0.87 KCNH2 (0.57) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97
SCHEMBL9628028 0.85 KCNH2 (0.74) CRHBPCRHR2SIGMAR1KCNH2CDC25C
SCHEMBL3257916 0.85 POLB (0.58) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97
SCHEMBL3157345 0.84 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2SIGMAR1KCNH2
SCHEMBL17539702 0.82 CYP1A2 (0.62) ALDH1A1CRHBPCRHR2KCNH2PKM
SCHEMBL8402960 0.82 SIGMAR1 (0.71) ALDH1A1SIGMAR1PYCR1MEN1KMT2A
SCHEMBL3151107 0.81 KDM4E (0.67) ALDH1A1CRHBPCRHR2SIGMAR1TMEM97

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 15 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-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-20030138846-A1 Solid phase supports AKZO NOBEL N.V. (NL) 2003-07-24 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
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
US-6486354-B1 Solid phase supports AKZO NOBEL N.V. (NL) 2002-11-26 US 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
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 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
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999009073-A1 SOLID PHASE SUPPORTS AKZO NOBEL N.V. (NL) 1999-02-25 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-20030138846-A1 Solid phase supports NES, CCNY, CCNA2 ALDH1A1 1873/4885CRHBP 1856/4885CRHR2 2585/4885

“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.