SCHEMBL6772377

SCHEMBL6772377

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.44
KCNK3 O14649 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 6/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TNF P01375 1/20 0.38
KLF5 Q13887 1/20 0.38
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL6772370 1.00 KCNK9 (0.44) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5222596 0.89 KCNK9 (0.48) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL7053464 0.86 HDAC1 (0.48) KCNK9KCNK3SMN1; SMN2TP53HDAC8
SCHEMBL6772160 0.86 FADS1 (0.41) SMN1; SMN2TP53HDAC3HDAC1KMT2A
SCHEMBL6772167 0.86 FADS1 (0.41) SMN1; SMN2TP53HDAC3HDAC1KMT2A
Hydrochloric Acid SCHEMBL6771888 0.86 KCNK9 (0.45) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5226258 0.85 KCNK9 (0.49) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5226616 0.85 KCNK9 (0.49) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL6774121 0.84 NPC1 (0.45) SMN1; SMN2TP53HDAC8HDAC6HDAC1
SCHEMBL6774127 0.84 NPC1 (0.45) SMN1; SMN2TP53HDAC8HDAC6HDAC1

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 KCNK9 1024/4885KCNK3 2947/4885SMN1; SMN2 3164/4885

“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.