SCHEMBL13593300

SCHEMBL13593300

COc1ccccc1NC(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.63
▸ NPC1 O15118 7/20 0.63
▸ THRB P10828 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55

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
SCHEMBL13593304 0.88 KMT2A (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5155118 0.85 RAB9A (0.69) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL13593301 0.82 HDAC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL11010010 0.82 RAB9A (0.72) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL7636114 0.81 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL13593306 0.80 LMNA (0.60) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL5852135 0.77 MAPT (0.78) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL11006683 0.77 RAB9A (0.78) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL4554983 0.77 POLB (0.77) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL31040567 0.77 POLB (0.77) RAB9ANPC1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 — — US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 — — US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 — — US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 — — 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP RAB9A 2018/4885NPC1 39/4885THRB 3183/4885

“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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