SCHEMBL3117616

SCHEMBL3117616

CCCCNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.76
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
MGLL Q99685 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL28042331 0.94 CHRM2 (0.82) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1290510 0.90 CHRM2 (0.70) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL21879604 0.88 CHRM2 (0.68) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045277 0.88 CHRM2 (0.90) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11597593 0.86 CHRM2 (0.79) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL3118575 0.85 CHRM2 (0.59) CHRM2HDAC3HDAC1HDAC2MEN1
SCHEMBL8780888 0.85 KCNH2 (0.60) CHRM2HDAC3HDAC1HDAC2MEN1
SCHEMBL24002152 0.85 CHRM2 (0.68) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10874545 0.83 CHRM2 (0.76) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1520064 0.83 CHRM2 (0.75) CHRM2HDAC3HDAC1HDAC2HDAC8

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 30 patents — showing the first 20. 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
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP 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
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
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 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 (2 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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CHRM2 1448/4885HDAC3 91/4885HDAC1 49/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 CHRM2 167/4885HDAC3 2686/4885HDAC1 2318/4885

“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.