SCHEMBL8740423

SCHEMBL8740423

N=C(N)c1ccc(OCCC(O)CCOc2ccc(/C(N)=N/O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.58
GAA P10253 2/20 0.57
RAB9A P51151 2/20 0.57
TMPRSS2 O15393 2/20 0.57
PRMT1 Q99873 3/20 0.55
F2 P00734 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
PLAU P00749 1/20 0.55
PRMT5 O14744 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
PTP4A3 O75365 1/20 0.55
SLC22A3 O75751 1/20 0.55
F10 P00742 1/20 0.55
PLG P00747 1/20 0.55
S100B P04271 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55

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
SCHEMBL12348099 0.89 PRSS1 (0.72) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL14540170 0.89 PRSS1 (0.58) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12793234 0.87 GAA (0.60) PRSS1GAARAB9ATMPRSS2PRMT1
SCHEMBL8740421 0.87 GAA (0.56) PRSS1GAARAB9ATMPRSS2PRMT1
SCHEMBL8739979 0.86 PRSS1 (0.55) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12348100 0.85 PRMT1 (0.77) PRSS1GAARAB9ATMPRSS2PRMT1
SCHEMBL8740422 0.85 PRMT1 (0.77) PRSS1GAARAB9ATMPRSS2PRMT1
SCHEMBL1820723 0.82 PRSS1 (0.66) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12965228 0.81 GAA (0.56) PRSS1GAARAB9ATMPRSS2PRMT1
Pentamidine Dao SCHEMBL12355833 0.76 GAA (0.84) PRSS1GAARAB9ATMPRSS2PRMT1

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 6 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-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-7875614-B2 compounds for treatment of tumors MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 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-20080194569-A1 Phthalazinones RB1, H1-3, H1-2 PRSS1 2621/4885GAA 3424/4885RAB9A 1248/4885
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS TP53, IDH3A, IDH2 PRSS1 3740/4885GAA 3011/4885RAB9A 2433/4885
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle CCNE1, CCNA1, CCNT1 PRSS1 2253/4885GAA 4608/4885RAB9A 3850/4885

“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.