SCHEMBL6258754

SCHEMBL6258754

COc1ccc(C(=O)Nc2ccnc(C(=O)c3ccc(C(C)(C)C)cc3)c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6259938 0.84 MAPT (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL6260058 0.80 MAPT (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL3196009 0.80 GPR6 (0.40) RAB9AKMT2ANPC1NR1H4MEN1
SCHEMBL6255305 0.78 MAPT (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL3187488 0.76 ALDH1A1 (0.44) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL3207077 0.75 PDE10A (0.47) MAPTALDH1A1LMNAALOX15MAPK1
SCHEMBL6262123 0.75 SRD5A2 (0.47) MAPTHDAC1ALDH1A1HSD17B10RAB9A
SCHEMBL5224056 0.73 F10 (0.61) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL395599 0.73 MAPT (0.74) MAPTALDH1A1LMNAALOX15APEX1
SCHEMBL19830567 0.73 MAPT (0.74) MAPTALDH1A1LMNAALOX15APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999834-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-10-12 EP disclosed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US disclosed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US disclosed
US-20020072531-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-06-13 US disclosed
US-20020049234-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-04-25 US disclosed
US-6313151-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 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-20020072531-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885HDAC1 592/4885HDAC3 624/4885
US-20020049234-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885HDAC1 592/4885HDAC3 624/4885

“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.