SCHEMBL6170145

SCHEMBL6170145

CC(=O)Nc1ccc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.66
HDAC3 O15379 4/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.55
NR1H4 Q96RI1 3/20 0.53
EPHX2 P34913 1/20 0.53
KCNK9 Q9NPC2 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
ESRRG P62508 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL21588734 0.82 NR1H4 (0.54) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL7428272 0.82 PPARG (0.60) HDAC1HDAC3HDAC2NR1H4EPHX2
SCHEMBL7296645 0.81 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6NR1H4
SCHEMBL23352874 0.81 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6NR1H4
SCHEMBL7302295 0.81 SERPINE1 (0.65) HDAC1HDAC2NR1H4NPC1RAB9A
SCHEMBL6171612 0.80 RAB9A (0.65) HDAC3HDAC11HDAC8HDAC6NR1H4
SCHEMBL15551749 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL15551746 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL5226208 0.80 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL6542449 0.78 KCNK9 (0.51) HDAC8HDAC6NR1H4EPHX2KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 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 (2 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 HDAC1 592/4885HDAC3 624/4885HDAC2 1136/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 HDAC1 592/4885HDAC3 624/4885HDAC2 1136/4885

“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.