SCHEMBL4416347

SCHEMBL4416347

CCC(O)(O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6671270 0.85 MAPT (0.54) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL3662903 0.80 ALDH1A1 (0.57) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL1466162 0.80 MEN1 (0.65) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL6365853 0.79 MAPT (0.51) MAPTALDH1A1RECQLHSD17B10POLB
Ammonia Solution, Strong SCHEMBL28461881 0.78 MEN1 (0.63) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL10511966 0.78 MAPT (0.54) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL10687645 0.76 MAPT (0.49) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL3859485 0.76 ALDH1A1 (0.52) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL3858400 0.75 MEN1 (0.52) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL12347503 0.75 MEN1 (0.59) MAPTALDH1A1RECQLHSD17B10POLB

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
EP-1430019-B1 SPHINGOLIPIDS YISSUM RES DEV CO (IL) 2009-12-30 — — EP disclosed
US-6756504-B2 ENZYME INHIBITORS OF VARIOUS LIPID- RELATED ENZYMES, REDUCING LIPID ACCUMULATION, ANTICANCER AGENTS, ANTIMALARIA AGENTS, ANTIPROTOZOA AGENTS, ANTILIPOLYTIC AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-29 — — US disclosed
US-20030133904-A1 Sphingolipids YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-17 — — US disclosed
US-5254333-A Contains acidic dye, 2-benzyloxyethanol and a water-soluble nonionic polymer; imparts good feeling to hair; safe to hair and skin KAO CORPORATION (JP) 1993-10-19 — — 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-20030133904-A1 Sphingolipids SMPD1, SMPD2, SGPL1 MAPT 1868/4885ALDH1A1 817/4885RECQL 871/4885

“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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