SCHEMBL4591980

SCHEMBL4591980

OCCOc1ccc(I)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.47
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CSNK2A1 P68400 2/20 0.40
MAPT P10636 3/20 0.40
IDO1 P14902 2/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4334537 0.81 S1PR4 (0.61) S1PR4TP53MAPK1L3MBTL1MAPT
SCHEMBL9503538 0.79 SMN1; SMN2 (0.50) S1PR4TP53MAPK1L3MBTL1CSNK2A1
SCHEMBL8287371 0.78 MAPT (0.59) S1PR4TP53MAPK1L3MBTL1CSNK2A1
SCHEMBL10359829 0.78 S1PR4 (0.48) S1PR4TP53MAPK1L3MBTL1MAPT
SCHEMBL4473487 0.78 KDM4E (0.40) TP53L3MBTL1MAPTIDO1NPC1
SCHEMBL3201532 0.78 KDM4E (0.55) S1PR4MAPK1MAPTTSHRNPSR1
SCHEMBL4487594 0.78 F2 (0.44) L3MBTL1MAPTIDO1TDP1NPC1
SCHEMBL29610719 0.78 S1PR4 (0.46) S1PR4TP53MAPK1L3MBTL1CSNK2A1
SCHEMBL14045887 0.78 IDO1 (0.40) S1PR4MAPTIDO1TSHRTDP1
SCHEMBL6819499 0.78 S1PR4 (0.46) S1PR4TP53MAPK1L3MBTL1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 S1PR4 2550/4885TP53 4616/4885MAPK1 3803/4885

“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.