SCHEMBL2819310

SCHEMBL2819310

O=C(O)C/C=C/c1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.43
PDE5A O76074 2/20 0.43
GPR183 P32249 1/20 0.41
MIF P14174 1/20 0.41
DGAT1 O75907 1/20 0.41
PDPK1 O15530 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2819313 1.00 PAM (0.43) PAMPDE5AGPR183MIFDGAT1
SCHEMBL17593312 0.84 GPR183 (0.40) PDE5AGPR183MIFDGAT1PDPK1
SCHEMBL17593313 0.84 GPR183 (0.40) PDE5AGPR183MIFDGAT1PDPK1
SCHEMBL2089427 0.80 GPR183 (0.39) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL2089425 0.80 GPR183 (0.39) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL8956862 0.80 GPR183 (0.39) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL8956869 0.80 GPR183 (0.39) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL1469977 0.78 MIF (0.67) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL1469976 0.78 MIF (0.67) GPR183MIFDGAT1PDPK1NPC1
SCHEMBL2091129 0.78 GPR183 (0.39) GPR183MIFDGAT1PDPK1NPC1

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
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 PAM 2729/4885PDE5A 1193/4885GPR183 1263/4885

“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.