SCHEMBL3335196

SCHEMBL3335196

COc1ccc2nccc(NCC(N)=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.46
EHMT1 Q9H9B1 3/20 0.46
KCNH2 Q12809 7/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NNMT P40261 1/20 0.38
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3335199 0.80 FERMT2 (0.53) EHMT2EHMT1KCNH2
SCHEMBL3070145 0.78 EGFR (0.39) KCNH2
SCHEMBL3632623 0.77 KCNH2 (0.42) KCNH2MTNR1AMTNR1BNNMTKDM4E
SCHEMBL591768 0.77 KDM4E (0.51) KCNH2MTNR1AMTNR1BKDM4E
SCHEMBL5749369 0.76 EGFR (0.39) KCNH2
SCHEMBL591008 0.76 KCNH2 (0.43) KCNH2CNR1CNR2
SCHEMBL591009 0.76 KCNH2 (0.43) KCNH2CNR1CNR2
SCHEMBL3331740 0.75 MTNR1A (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL5826544 0.75 NNMT (0.54) MTNR1AMTNR1BNNMTKDM4E
Hydrochloric Acid SCHEMBL6756852 0.74 NNMT (0.53) MTNR1AMTNR1BNNMTKDM4E

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
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP claimed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US claimed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY EHMT2 4475/4885EHMT1 4134/4885KCNH2 2218/4885

“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.