SCHEMBL5582347

SCHEMBL5582347

O=C(OCCN1COc2ccccc2C1=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39
BRCA1 P38398 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 2/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL5582371 0.77 TP53 (0.32) TDP1ALDH1A1PKMHSD17B10USP2
SCHEMBL577432 0.76 SMN1; SMN2 (0.67) TDP1SMN1; SMN2ALDH1A1PKMHSD17B10
Sinitrodil SCHEMBL503115 0.74 TSHR (0.34) RAB9ASMN1; SMN2ALDH1A1PKMLMNA
Sinitrodil SCHEMBL31066546 0.74 TSHR (0.34) RAB9ASMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL6947117 0.74 TSHR (0.41) NPC1RAB9ASMN1; SMN2PKMKMT2A
SCHEMBL8980560 0.74 PKM (0.36) TDP1PKML3MBTL1
SCHEMBL5582283 0.73 TDP1 (0.48) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL8639215 0.71 TSHR (0.41) SMN1; SMN2PKMKMT2A
SCHEMBL7712545 0.71 TDP1 (0.65) TDP1NPC1RAB9AALDH1A1LMNA
SCHEMBL30416074 0.70 TDP1 (0.85) TDP1NPC1RAB9ASMN1; SMN2ALDH1A1

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 4039/4885NPC1 4560/4885RAB9A 3521/4885

“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.