SCHEMBL6198752

SCHEMBL6198752

N=C(N)CCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
NOS1 P29475 2/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
ALOX5 P09917 2/20 0.53
ACHE P22303 1/20 0.53
SGMS1 Q86VZ5 1/20 0.53
SGMS2 Q8NHU3 1/20 0.53
MAOA P21397 1/20 0.52
FAAH O00519 3/20 0.51
CES1 P23141 3/20 0.51
MAOB P27338 2/20 0.50
HTR3A P46098 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL6935851 0.98 MAPT (0.57) MAPTRXFP1NOS1HDAC1HDAC2
Hydrochloric Acid SCHEMBL17186436 0.96 MAPT (0.55) MAPTRXFP1NOS1HDAC1HDAC2
SCHEMBL21485091 0.92 NOS1 (0.58) MAPTRXFP1NOS1HDAC1HDAC2
Hydrochloric Acid SCHEMBL1625456 0.90 NOS1 (0.56) MAPTRXFP1NOS1HDAC1HDAC2
SCHEMBL1891210 0.83 NOS1 (0.57) NOS1HDAC1HDAC2MAOAMAOB
SCHEMBL2627816 0.82 MAPT (0.74) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL5981360 0.82 MAPT (0.74) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL21359026 0.82 MAPT (0.74) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1327206 0.82 MAPT (0.74) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1404165 0.82 MAPT (0.74) MAPTRXFP1HDAC1HDAC2ALOX5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI MAPT 4356/4885RXFP1 1251/4885NOS1 1514/4885

“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.