SCHEMBL6772765

SCHEMBL6772765

CC(C)c1ccc(C(=O)Nc2c(N)ccc(O)c2C(=O)c2cccc(C(N)=NO)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
ANPEP P15144 1/20 0.36
DEGS1 O15121 1/20 0.35
TP53 P04637 1/20 0.35
HDAC1 Q13547 1/20 0.35
KDM1A O60341 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
Hydrochloric Acid SCHEMBL6773165 0.87 F10 (0.42) F10NPC1RAB9AMAPTCASP3
SCHEMBL6778377 0.86 F10 (0.38) F10NPC1RAB9AMAPTCASP3
SCHEMBL6772167 0.86 FADS1 (0.41) F10NPC1RAB9AMAPTCASP3
SCHEMBL6772160 0.86 FADS1 (0.41) F10NPC1RAB9AMAPTCASP3
SCHEMBL6772247 0.83 F10 (0.51) F10NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6542419 0.82 HDAC1 (0.45) NPC1RAB9AMAPTCASP3SMN1; SMN2
SCHEMBL6768317 0.80 F10 (0.42) F10NPC1RAB9AHDAC1SIRT2
SCHEMBL6542785 0.77 MAPT (0.49) F10NPC1RAB9AMAPTCASP3
Hydrochloric Acid SCHEMBL6767909 0.73 F10 (0.41) F10NPC1RAB9AMAPTCASP3
Hydrochloric Acid SCHEMBL6774148 0.73 F10 (0.46) F10NPC1RAB9AMAPTSIRT2

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 F10 7/4885NPC1 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.