SCHEMBL12263288

SCHEMBL12263288

COC(=O)c1ccc(-c2cccn(C)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALDH1A2 O94788 1/20 0.50
ALDH1A3 P47895 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PTPN1 P18031 2/20 0.49
HPGD P15428 1/20 0.49
PTPRC P08575 1/20 0.49
PTPRF P10586 1/20 0.49
CDC25B P30305 1/20 0.49
EGFR P00533 1/20 0.48
SETD7 Q8WTS6 1/20 0.47
TSHR P16473 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL2396743 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3MAPT
SCHEMBL12263289 0.83 HPGD (0.46) SMN1; SMN2ALDH1A1HPGDTSHRCA1
SCHEMBL12263449 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3MAPT
SCHEMBL2396562 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3NPC1
SCHEMBL2396695 0.78 SCN1A (0.49) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3PTPN1
SCHEMBL12263260 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3NPC1
SCHEMBL12987761 0.77 HRH3 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL12263343 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3MAPT
SCHEMBL12263297 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3MAPT
SCHEMBL12263340 0.77 RXRA (0.48) SMN1; SMN2ALDH1A1ALDH1A2ALDH1A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 SMN1; SMN2 4094/4885ALDH1A1 3722/4885ALDH1A2 4643/4885

“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.