SCHEMBL5535974

SCHEMBL5535974

O=C(OCc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
NR1H3 Q13133 5/20 0.55
NR1H2 P55055 1/20 0.55
GRM5 P41594 1/20 0.51
PIM3 Q86V86 1/20 0.47
HIPK4 Q8NE63 1/20 0.47
SCN2A Q99250 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR1 P03372 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5542353 0.87 NR1H3 (0.52) TDP1NR1H3NR1H2GRM5PIM3
SCHEMBL5538981 0.86 TDP1 (0.62) TDP1NR1H3PIM3HIPK4SCN2A
SCHEMBL5582283 0.80 TDP1 (0.48) TDP1NR1H3NR1H2MEN1KMT2A
SCHEMBL2687362 0.77 NR1H3 (0.57) TDP1NR1H3NR1H2PIM3HIPK4
SCHEMBL5541780 0.76 TDP1 (0.51) TDP1NR1H3NR1H2MEN1KMT2A
SCHEMBL5582297 0.76 NR1H3 (0.41) TDP1NR1H3NR1H2GRM5PIM3
Benzyl Salicylate SCHEMBL1871397 0.75 TDP1 (1.00) TDP1KMT2AALDH1A1RAB9A
Benzyl Salicylate SCHEMBL30184766 0.75 TDP1 (1.00) TDP1KMT2AALDH1A1RAB9A
Benzyl Salicylate SCHEMBL15573 0.75 TDP1 (1.00) TDP1KMT2AALDH1A1RAB9A
SCHEMBL10780057 0.75 TDP1 (0.69) TDP1MEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4039/4885NR1H3 585/4885NR1H2 398/4885

“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.