SCHEMBL6217640

SCHEMBL6217640

Cc1ccc(CNC(=O)CN(C(=O)c2ccc(Cl)c(N)c2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
MAPK1 P28482 1/20 0.59
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MEN1 O00255 3/20 0.43

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
SCHEMBL1622988 0.80 F2 (0.55) HPGDHDAC1HDAC6ALDH1A1GAA
SCHEMBL6982268 0.79 HDAC1 (0.45) HPGDHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL6370559 0.79 KMT2A (0.51) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL1624584 0.74 HDAC1 (0.47) HDAC1HDAC6MEN1KMT2A
SCHEMBL1624128 0.72 F2 (0.49) HDAC1HDAC6
SCHEMBL1623574 0.72 F2 (0.53) HDAC1HDAC6
SCHEMBL1624612 0.71 NR1H4 (0.49) HPGDHDAC1HDAC6ALDH1A1KMT2A
SCHEMBL10318404 0.71 PPARG (0.64) HPGDHDAC1HDAC6ALDH1A1HDAC4
SCHEMBL1624113 0.71 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1624473 0.70 PKM (0.49) HDAC1HDAC6THRBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO 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-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 HPGD 216/4885MAPK1 3190/4885HDAC1 2668/4885

“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.