SCHEMBL98101

SCHEMBL98101

CC(N)c1ccccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
PNMT P11086 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL30678522 0.83 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL14395925 0.83 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL2782006 0.83 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL30678523 0.83 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL17448132 0.83 CYP2D6 (0.54) CYP2D6CYP1A2CYP3A4NFKB1PNMT
Hydrochloric Acid SCHEMBL4696712 0.80 LMNA (0.56) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL2544954 0.78 GABRA1 (0.40) CYP1A2CYP3A4LMNAHIF1AGABRA1
SCHEMBL396706 0.78 GABRA1 (0.52) CYP1A2CYP3A4LMNAALDH1A1HIF1A
SCHEMBL23101936 0.76 GABRA1 (0.50) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL1061130 0.76 CYP3A4 (0.48) CYP2D6CYP1A2CYP3A4NFKB1PNMT

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-3011961-B1 4F-BENZOYL-TN14003 FOR THE MOBILISATION OF HEMATOPOIETIC PROGENITOR CELLS IN VIEW OF TRANSPLANTATION BIOKINE THERAPEUTICS LTD (IL) 2020-11-11 EP disclosed
EP-2841084-B1 CXCR4 ANTAGONIST PEPTIDE FOR USE IN THE TREATMENT OF LARGE CELL LUNG CANCER BIOKINE THERAPEUTICS LTD (IL) 2018-05-30 EP disclosed
US-9439942-B2 Peptides and use thereof in the treatment of large cell lung cancer BIOKINE THERAPEUTICS LTD. (IL) 2016-09-13 US disclosed
EP-3011961-A1 4F-benzoyl-TN14003 for the mobilisation of hematopoietic progenitor cells in view of transplantation Biokine Therapeutics LTD. (IL) 2016-04-27 EP disclosed
EP-2942059-A1 4F-BENZOYL-TN14003 FOR USE IN THE TREATMENT OF MULTIPLE MYELOMA Biokine Therapeutics LTD. (IL) 2015-11-11 EP disclosed
US-20150125549-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER BIOKINE THERAPEUTICS LTD. (IL) 2015-05-07 US disclosed
EP-2841084-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER Biokine Therapeutics Ltd. (IL) 2015-03-04 EP disclosed
EP-2426139-B1 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD (IL) 2014-10-01 EP disclosed
EP-2759302-A2 4F-benzoyl-TN14003 combined with rituximab for use in the treatment of a tumour Biokine Therapeutics LTD. (IL) 2014-07-30 EP disclosed
EP-2442822-B1 PEPTIDE THERAPY FOR INCREASING PLATELET LEVELS BIOKINE THERAPEUTICS LTD (IL) 2014-03-05 EP disclosed
WO-2008075369-A2 T-140 PEPTIDE ANALOGS HAVING CXCR4 SUPER-AGONIST ACTIVITY FOR BONE MARROW RECOVERY BIOKINE THERAPEUTICS LTD. (IL) 2008-06-26 WO disclosed
WO-2008075371-A2 T-140 PEPTIDE ANALOGS HAVING CXCR4 SUPER-AGONIST ACTIVITY FOR IMMUNOMODULATION BIOKINE THERAPEUTICS LTD. (IL) 2008-06-26 WO disclosed
WO-2008075370-A2 T-140 PEPTIDE ANALOGS HAVING CXCR4 SUPER-AGONIST ACTIVITY FOR CANCER THERAPY BIOKINE THERAPEUTICS LTD. (IL) 2008-06-26 WO disclosed
EP-1898943-A2 CXCR4 ANTAGONISTS FOR WOUND HEALING AND RE-EPITHELIALIZATION Hadasit Medical Research Services & Development Ltd. (IL) 2008-03-19 EP disclosed
EP-1273608-B1 FLAME-RETARDANT EPOXY RESIN COMPOSITION, MOLDED OBJECT THEREOF, AND ELECTRONIC PART OTSUKA KAGAKU KK (JP) 2007-07-04 EP disclosed
WO-2006126188-A2 CXCR4 ANTAGONISTS FOR WOUND HEALING AND RE-EPITHELIALIZATION HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2006-11-30 WO disclosed
EP-1541585-A1 CXCR4 ANTAGONIST AND USE THEREOF Fujii, Nobutaka (JP) 2005-06-15 EP disclosed
US-6797750-B2 Flame-retardant epoxy resin composition, molded article thereof, and electronic part OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
US-20030114606-A1 A phosphazene compound or polyphosphazenes; fireproofing OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1273608-A1 FLAME-RETARDANT EPOXY RESIN COMPOSITION, MOLDED OBJECT THEREOF, AND ELECTRONIC PART OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-01-08 EP 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-20150125549-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER NGLY1, VIP, TAP1 CYP2D6 4788/4885CYP1A2 4870/4885CYP3A4 4833/4885

“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.