SCHEMBL704507

SCHEMBL704507

O=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ccccc3[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.62
▸ LMNA P02545 10/20 0.62
▸ NPC1 O15118 10/20 0.62
▸ MAPT P10636 9/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ HTT P42858 8/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ MCL1 Q07820 1/20 0.60
▸ PTK2B Q14289 1/20 0.60
▸ SMN1; SMN2 Q16637 8/20 0.60
▸ ALDH1A1 P00352 8/20 0.60
▸ HPGD P15428 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ GAA P10253 3/20 0.60
▸ PKM P14618 3/20 0.60
▸ GLA P06280 2/20 0.60
▸ ALPL P05186 1/20 0.60
▸ ALPG P10696 1/20 0.60
▸ SNCA P37840 1/20 0.56

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
SCHEMBL704508 1.00 RAB9A (0.62) RAB9ALMNANPC1MAPTMEN1
SCHEMBL17609266 0.80 NPC1 (0.65) RAB9ALMNANPC1MAPTMEN1
SCHEMBL17609165 0.79 RIPK1 (0.47) RAB9ALMNANPC1MAPTMEN1
SCHEMBL29568028 0.76 NPBWR1 (0.73) RAB9ALMNANPC1MAPTMEN1
SCHEMBL2689294 0.76 NPBWR1 (0.73) RAB9ALMNANPC1MAPTMEN1
SCHEMBL10860786 0.75 MAPT (0.48) RAB9ALMNANPC1MAPTMEN1
SCHEMBL7808579 0.75 NPC1 (1.00) RAB9ALMNANPC1MAPTMEN1
SCHEMBL3334644 0.73 NPBWR1 (0.73) RAB9ALMNANPC1MAPTMEN1
SCHEMBL1086985 0.73 ALDH1A1 (0.81) RAB9ALMNANPC1MAPTMEN1
SCHEMBL29539476 0.73 ALDH1A1 (0.81) RAB9ALMNANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124770-B2 Fluorescent cellular markers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-28 — — US disclosed
US-20100256378-A1 FLUORESCENT CELLULAR MARKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 — — 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-20100256378-A1 FLUORESCENT CELLULAR MARKERS AIFM1, CASP3, BAX RAB9A 862/4885LMNA 355/4885NPC1 1894/4885

“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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