SCHEMBL8740422

SCHEMBL8740422

N=C(N)c1ccc(OCCCCCOc2ccc(/C(N)=N/O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.77
F2 P00734 2/20 0.77
ST14 Q9Y5Y6 2/20 0.77
TMPRSS2 O15393 2/20 0.77
PLAU P00749 1/20 0.77
PRMT5 O14744 1/20 0.77
SLC22A2 O15244 1/20 0.77
SLC22A1 O15245 1/20 0.77
PTP4A3 O75365 1/20 0.77
SLC22A3 O75751 1/20 0.77
F10 P00742 1/20 0.77
PLG P00747 1/20 0.77
S100B P04271 1/20 0.77
CHRM2 P08172 1/20 0.77
CHRM4 P08173 1/20 0.77
CHRM5 P08912 1/20 0.77
ADRA2A P08913 1/20 0.77
CYP2D6 P10635 1/20 0.77
AOC1 P19801 1/20 0.77
MAOA P21397 1/20 0.77

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
SCHEMBL12348100 1.00 PRMT1 (0.77) PRMT1F2ST14TMPRSS2PLAU
Pentamidine Dao SCHEMBL12348101 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599580 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
Pentamidine Dao SCHEMBL12355833 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599648 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599647 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599579 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
Pentamidine Dao SCHEMBL8653348 0.92 GAA (0.84) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL3329 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL144738 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
EP-2121700-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS FINSINGER DIRK (DE) 2012-05-24 US disclosed
US-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7875614-B2 compounds for treatment of tumors MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
EP-2033959-A1 Tetrahydropyranoquinoline derivatives Merck Patent GmbH (DE) 2009-03-11 EP disclosed
WO-2008113451-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007054138-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2007-05-18 WO disclosed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US disclosed
US-20070099906-A1 Combinations for the treatment of noeplastic disorders COMBINATORX, INC. 2007-05-03 US disclosed
US-20070099906-A1 Combinations for the treatment of noeplastic disorders COMBINATORX, INC. 2007-05-03 US disclosed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 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 (3 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-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS TP53, IDH3A, IDH2 PRMT1 26/4885F2 512/4885ST14 1883/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC PRMT1 2584/4885F2 2085/4885ST14 508/4885
US-20070099906-A1 Combinations for the treatment of noeplastic disorders NOP56, XPOT, NPM1 PRMT1 406/4885F2 2263/4885ST14 2830/4885

“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.