SCHEMBL5887309

SCHEMBL5887309

COc1ccc(-c2[c]ccc(-c3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
EDNRA P25101 4/20 0.42
EDNRB P24530 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.41
GRM1 Q13255 1/20 0.40
GAA P10253 1/20 0.39
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5887207 0.82 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5887282 0.82 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5887226 0.81 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5886796 0.81 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5886966 0.77 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5886917 0.76 ABL1 (0.46) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5886822 0.75 ALDH1A1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5887272 0.71 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6482119 0.71 ALDH1A1 (0.64) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5887209 0.70 ABL1 (0.46) MAPTSMN1; SMN2NPC1RAB9ALMNA

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (2 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R MAPT 2577/4885SMN1; SMN2 1459/4885NPC1 1831/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885SMN1; SMN2 4633/4885NPC1 2930/4885

“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.