SCHEMBL6778377

SCHEMBL6778377

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
HDAC3 O15379 4/20 0.33
ANPEP P15144 1/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 3/20 0.33

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 SCHEMBL6767909 0.88 F10 (0.41) F10LMNAKMT2ANPC1RAB9A
SCHEMBL6772765 0.86 F10 (0.45) F10LMNAKMT2ANPC1RAB9A
SCHEMBL6541880 0.84 HDAC1 (0.42) LMNAKMT2AHDAC3HDAC1
SCHEMBL6772167 0.82 FADS1 (0.41) F10LMNAKMT2ANPC1RAB9A
SCHEMBL6772160 0.82 FADS1 (0.41) F10LMNAKMT2ANPC1RAB9A
SCHEMBL6772247 0.79 F10 (0.51) F10LMNANPC1RAB9AMAPT
SCHEMBL6768317 0.78 F10 (0.42) F10NPC1RAB9ASIRT2SIRT1
SCHEMBL6542785 0.74 MAPT (0.49) F10KMT2ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6774148 0.73 F10 (0.46) F10NPC1RAB9AMAPTSIRT2
Hydrochloric Acid SCHEMBL6773165 0.73 F10 (0.42) F10LMNAKMT2ANPC1RAB9A

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 7/4885LMNA 415/4885KMT2A 2684/4885

“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.