SCHEMBL2688179

SCHEMBL2688179

CCC(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ PKM P14618 1/20 0.59
▸ GAA P10253 1/20 0.57
▸ LMNA P02545 4/20 0.56
▸ TDP1 Q9NUW8 1/20 0.52
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL7533415 0.84 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL13451429 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL27488154 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL11715092 0.79 MEN1 (0.54) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL5542522 0.79 RAB9A (0.71) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL11710399 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL11718420 0.78 CYP1B1 (0.60) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11530550 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL22649407 0.77 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL7590942 0.77 KDM4E (0.57) ALDH1A1MAPTKDM4ERAB9ANPSR1

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 ALDH1A1 1677/4885MAPT 1718/4885KDM4E 1852/4885

“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.

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