SCHEMBL4416803

SCHEMBL4416803

CC(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
F7 P08709 1/20 0.53
NAMPT P43490 4/20 0.51
BACE1 P56817 1/20 0.49
CNR1 P21554 1/20 0.49
ROCK2 O75116 2/20 0.47
PRMT3 O60678 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NLRP3 Q96P20 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4416798 1.00 SAE1 (0.56) SAE1UBA2F7NAMPTBACE1
SCHEMBL4414838 0.79 LMNA (0.55) SAE1UBA2LMNAMAPTTSHR
SCHEMBL4414834 0.79 LMNA (0.55) SAE1UBA2LMNAMAPTTSHR
SCHEMBL22060067 0.79 ERCC1 (0.55) SAE1UBA2NAMPTLMNAHTT
SCHEMBL4416134 0.79 F7 (0.80) F7
SCHEMBL12890539 0.77 MAPT (0.60) SAE1UBA2CNR1LMNAMAPT
SCHEMBL4414716 0.76 LMNA (0.51) SAE1UBA2NAMPTLMNAMAPT
SCHEMBL4414707 0.76 LMNA (0.51) SAE1UBA2NAMPTLMNAMAPT
SCHEMBL18695146 0.75 NAMPT (0.64) SAE1UBA2NAMPTROCK2PRMT3
SCHEMBL15899183 0.74 EPHX2 (0.50) BACE1ROCK2LMNAMAPTMEN1

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-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 SAE1 2044/4885UBA2 527/4885F7 1/4885

“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.