SCHEMBL4469279

SCHEMBL4469279

Clc1ccc(-c2cnc(I)cn2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
AHR P35869 1/20 0.40
ALPL P05186 2/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4469264 0.83 NOTUM (0.41) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL4476354 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1LMNAMAPTRAB9A
SCHEMBL4474343 0.75 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAMAPTMEN1
SCHEMBL3747046 0.73 ALPL (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1ALPL
SCHEMBL255658 0.73 NPC1 (0.47) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6074928 0.73 RAB9A (0.48) HSP90AA1HSP90AB1LMNAMAPTMEN1
SCHEMBL10901074 0.73 HSP90AA1 (0.45) HSP90AA1HSP90AB1LMNAMAPTMEN1
SCHEMBL14988388 0.71 HSP90AA1 (0.51) HSP90AA1HSP90AB1LMNAMAPTMEN1
SCHEMBL28170356 0.71 CNR2 (0.51) IDO1
SCHEMBL4477300 0.70 MAPT (0.40) HSP90AA1HSP90AB1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HSP90AA1 4313/4885HSP90AB1 4644/4885LMNA 3218/4885

“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.