SCHEMBL4911297

SCHEMBL4911297

Clc1ccc(Cl)c(Nc2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
NFKB1 P19838 3/20 0.46
MAPT P10636 3/20 0.43
C1R P00736 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8973265 0.96 TSHR (0.56) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL8973245 0.85 TSHR (0.61) TSHRNFKB1MAPTKMT2AMEN1
SCHEMBL8973678 0.81 RAPGEF4 (0.54) TSHRRAPGEF4NFKB1MAPTKMT2A
SCHEMBL9505944 0.81 HDAC3 (0.50) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL9738354 0.81 RAPGEF4 (0.53) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL7765087 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6RAPGEF4
Dyrene SCHEMBL8166670 0.76 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6
Dyrene SCHEMBL1903290 0.76 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6
Dyrene SCHEMBL29364667 0.76 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6
Dyrene SCHEMBL13280 0.76 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1446116-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2004-08-18 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO disclosed
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US disclosed
EP-0661976-A1 DEFAUNATION METHOD MALLINCKRODT VETERINARY LIMITED (AU) 1995-07-12 EP disclosed
EP-0661976-A4 DEFAUNATION METHOD. MALLINCKRODT VETERINARY LTD (AU) 1994-07-20 EP disclosed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 WO disclosed
US-3939158-A N-(2,4-dihalo-S-triazin-6-yl)-ureas and process for their manufacture CIBA-GEIGY AG (CH) 1976-02-17 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 TSHR 1641/4885HDAC3 1457/4885HDAC1 1050/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 TSHR 2555/4885HDAC3 1639/4885HDAC1 854/4885

“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.