SCHEMBL577433

SCHEMBL577433

O=C(OCCN1C(O)c2ccccc2C1O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
SERPINE1 P05121 1/20 0.40

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
SCHEMBL6063013 0.78 TDP1 (0.85) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL30416074 0.78 TDP1 (0.85) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL2687364 0.77 TDP1 (0.50) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL27989681 0.76 TDP1 (0.65) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL7712545 0.76 TDP1 (0.65) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL39575 0.75 ALDH1A1 (0.79) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL31490936 0.75 ALDH1A1 (0.79) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL9765812 0.74 TDP1 (0.92) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL12083356 0.74 TDP1 (1.00) TDP1ALDH1A1NPC1RAB9ATSHR
SCHEMBL416812 0.73 ALDH1A1 (0.76) TDP1ALDH1A1TSHRL3MBTL1LMNA

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
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 TDP1 4039/4885ALDH1A1 1677/4885NPC1 4560/4885

“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.