SCHEMBL4957967

SCHEMBL4957967

Clc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 4/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GLA P06280 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
GRM5 P41594 4/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PLCG2 P16885 1/20 0.45

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
SCHEMBL4958154 0.83 TP53 (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL29176843 0.83 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL3634573 0.81 NR1H4 (0.57) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL17377373 0.80 NOTUM (0.53) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL23539722 0.79 CHRNB2 (0.53) L3MBTL1MAPTTSHRTP53KMT2A
SCHEMBL7014203 0.79 L3MBTL1 (0.51) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL30041989 0.79 CHRNB2 (0.53) L3MBTL1MAPTTSHRTP53KMT2A
SCHEMBL28630172 0.79 SMN1; SMN2 (0.57) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL8292975 0.78 RAB9A (0.49) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL9782308 0.78 STAT3 (0.40) NPC1RAB9AL3MBTL1MAPTTSHR

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 NPC1 851/4885RAB9A 2996/4885L3MBTL1 1900/4885

“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.