SCHEMBL6772167

SCHEMBL6772167

CC(C)c1ccc(C(=O)Nc2c(N)cccc2C(=O)c2cccc(C(N)=NO)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HDAC1 Q13547 6/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 2/20 0.38
HDAC3 O15379 4/20 0.37
ANPEP P15144 1/20 0.37
HDAC2 Q92769 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
TP53 P04637 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL6772160 1.00 FADS1 (0.41) FADS1NPC1RAB9AMAPTCASP3
SCHEMBL6772377 0.86 KCNK9 (0.44) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL6772370 0.86 KCNK9 (0.44) NPC1RAB9AMAPTSMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6768038 0.86 FADS1 (0.41) FADS1NPC1RAB9AMAPTCASP3
SCHEMBL6772765 0.86 F10 (0.45) NPC1RAB9AMAPTCASP3SMN1; SMN2
SCHEMBL7053464 0.85 HDAC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL6774121 0.83 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL6774127 0.83 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL6778377 0.82 F10 (0.38) NPC1RAB9AMAPTCASP3SMN1; SMN2
SCHEMBL6541471 0.81 HDAC1 (0.51) FADS1NPC1RAB9AMAPTCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 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 (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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 FADS1 2803/4885NPC1 1837/4885RAB9A 2402/4885

“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.