SCHEMBL9947480

SCHEMBL9947480

O=Cc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
CCR5 P51681 2/20 0.52
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NTSR1 P30989 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RHEB Q15382 1/20 0.47
RECQL P46063 1/20 0.46
CYP19A1 P11511 2/20 0.45
TTR P02766 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL7819820 0.89 MAPT (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL9947562 0.85 MAPT (0.54) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL13191111 0.84 MAPT (0.52) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL10172977 0.84 CCR5 (0.67) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL736069 0.82 TLR9 (0.55) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL20742640 0.82 CCNB2 (0.51) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29227222 0.82 CCR5 (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL29227165 0.82 CYP19A1 (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL6927459 0.82 CYP19A1 (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL6926436 0.81 MAPT (0.62) MAPTSMN1; SMN2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-07-26 US disclosed
US-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-06-14 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-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 MAPT 14/4885SMN1; SMN2 688/4885LMNA 2059/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 MAPT 16/4885SMN1; SMN2 740/4885LMNA 2064/4885

“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.