SCHEMBL4958154

SCHEMBL4958154

Fc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GRM5 P41594 14/20 0.46
HDAC4 P56524 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14153091 0.93 TP53 (0.52) TP53HDAC6HDAC1HDAC8GRM5
SCHEMBL16104094 0.86 HDAC6 (0.61) TP53HDAC6HDAC1HDAC8HDAC4
SCHEMBL4957967 0.83 NPC1 (0.52) TP53HDAC6HDAC1GRM5HDAC4
SCHEMBL24660166 0.82 TP53 (0.50) TP53HDAC6HDAC1HDAC8GRM5
SCHEMBL29176843 0.81 L3MBTL1 (0.44) TP53HDAC6HDAC1HDAC8NPC1
SCHEMBL14061619 0.81 HDAC1 (0.46) TP53HDAC6HDAC1HDAC8GRM5
Hydrochloric Acid SCHEMBL29463520 0.81 TP53 (0.49) TP53HDAC6HDAC1HDAC8GRM5
Hydrochloric Acid SCHEMBL28701616 0.81 TP53 (0.49) TP53HDAC6HDAC1HDAC8GRM5
SCHEMBL3634573 0.80 NR1H4 (0.57) TP53HDAC4NPC1RAB9ASMN1; SMN2
SCHEMBL30041989 0.78 CHRNB2 (0.53) TP53HDAC6HDAC1HDAC8GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 TP53 4738/4885HDAC6 1507/4885HDAC1 648/4885

“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.