SCHEMBL2279376

SCHEMBL2279376

O=C(O)Cc1cccc(Oc2ccc(Br)cc2CSc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.42
PPARD Q03181 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
KMT2A Q03164 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
FFAR1 O14842 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
SCHEMBL13521956 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL2278029 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL2282152 0.86 PTGDR2 (0.45) HTTLMNAMAPTPPARDPTGDR2
SCHEMBL2275765 0.85 PTGDR2 (0.44) PPARDPTGDR2THRATHRBFFAR1
SCHEMBL2278791 0.84 PTGDR2 (0.46) PPARDPTGDR2THRATHRBFFAR1
SCHEMBL2278000 0.84 PRNP (0.43) KDM4EMAPTNPSR1PPARDPTGDR2
SCHEMBL2275762 0.83 PPARD (0.41) PPARDPTGDR2THRATHRBFFAR1
SCHEMBL2281413 0.82 CYP1A2 (0.49) ALDH1A1PPARDPTGDR2KMT2APOLB
SCHEMBL2277977 0.80 PPARD (0.49) PPARDPTGDR2THRATHRBFFAR1
SCHEMBL2285921 0.80 PTGDR2 (0.45) PPARDPTGDR2THRATHRBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885KDM4E 4832/4885HPGD 25/4885

“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.