SCHEMBL3419506

SCHEMBL3419506

CC(C)(C)OP(=O)(OCCNC(=O)OCc1ccccc1)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HTT P42858 1/20 0.51
▸ IDO1 P14902 1/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44

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
SCHEMBL9932446 0.85 LMNA (0.63) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL5581831 0.81 LMNA (0.70) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL22268177 0.81 IDO1 (0.56) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL25257764 0.81 HTT (0.53) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL13654753 0.81 ALDH1A1 (0.46) LMNAL3MBTL1
SCHEMBL25575859 0.81 GLA (0.46) SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL29592964 0.80 LMNA (0.68) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL1455796 0.80 MEN1 (0.46) SMN1; SMN2LMNAMAPTHSD17B10SYK
SCHEMBL5063193 0.80 LMNA (0.77) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL23417028 0.79 LMNA (0.55) SMN1; SMN2LMNAL3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 — — US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 — — US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 — — US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 — — WO disclosed
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 — — US disclosed
WO-2010027280-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-03-11 — — WO disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 — — EP disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 — — US disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 — — EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 — — WO 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 (4 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 SMN1; SMN2 3474/4885LMNA 1148/4885L3MBTL1 1690/4885
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A SMN1; SMN2 4797/4885LMNA 3875/4885L3MBTL1 2243/4885
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 SMN1; SMN2 3639/4885LMNA 2498/4885L3MBTL1 4699/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 SMN1; SMN2 3396/4885LMNA 1415/4885L3MBTL1 1923/4885

“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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