SCHEMBL8739980

SCHEMBL8739980

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.73
F2 P00734 2/20 0.73
ST14 Q9Y5Y6 2/20 0.73
TMPRSS2 O15393 2/20 0.73
PLAU P00749 1/20 0.73
PRMT5 O14744 1/20 0.73
SLC22A2 O15244 1/20 0.73
SLC22A1 O15245 1/20 0.73
PTP4A3 O75365 1/20 0.73
SLC22A3 O75751 1/20 0.73
F10 P00742 1/20 0.73
PLG P00747 1/20 0.73
S100B P04271 1/20 0.73
CHRM2 P08172 1/20 0.73
CHRM4 P08173 1/20 0.73
CHRM5 P08912 1/20 0.73
ADRA2A P08913 1/20 0.73
CYP2D6 P10635 1/20 0.73
AOC1 P19801 1/20 0.73
MAOA P21397 1/20 0.73

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
SCHEMBL10101376 0.86 GAA (0.75) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL8739981 0.86 GAA (0.75) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL8739979 0.86 PRSS1 (0.55) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599631 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599639 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599628 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL144738 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL3329 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Heptamidine SCHEMBL14599630 0.85 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL8740422 0.84 PRMT1 (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS FINSINGER DIRK (DE) 2012-05-24 US disclosed
US-20100022579-A1 SUBSTITUTED TETRAHYDROQUINOLINES Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2010-01-28 US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 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 (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-20100022579-A1 SUBSTITUTED TETRAHYDROQUINOLINES RECQL, NDUFS3, TPD52L2 PRMT1 110/4885F2 410/4885ST14 3253/4885
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 PRMT1 1539/4885F2 2330/4885ST14 2345/4885

“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.