SCHEMBL3498067

SCHEMBL3498067

O=CCCC(=O)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ HPGD P15428 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL5530068 0.98 ATM (0.60) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL4812065 0.88 ATM (0.65) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL8273595 0.86 ATM (0.63) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL7548624 0.83 ATM (0.65) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL10337221 0.81 ATM (0.56) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL30452255 0.81 ATM (0.56) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL26644344 0.81 ATM (0.56) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL23096828 0.79 TDP1 (0.45) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL12443868 0.79 DDB1 (0.44) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL4816120 0.79 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 — — EP claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-3156398-A1 AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-04-19 — — EP disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 — — EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 — — US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 — — EP disclosed
CN-1186434-A Pharmaceutical composition containing protease inhibitor and monoglyceride HOFFMANN LA ROCHE (US) 1998-07-01 — — CN 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 (2 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA ATM 1877/4885ALDH1A1 535/4885SMN1; SMN2 4775/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 ATM 1205/4885ALDH1A1 366/4885SMN1; SMN2 4877/4885

“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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