SCHEMBL20420230

SCHEMBL20420230

NCCOCCOCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ LMNA P02545 6/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ GAA P10253 5/20 0.58
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 6/20 0.55
▸ HTT P42858 6/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ THRB P10828 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20420121 0.91 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5704002 0.86 GAA (0.67) MAPTSMN1; SMN2RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL8114256 0.85 GAA (0.65) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20419968 0.84 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL23705193 0.83 KMT2A (0.55) MAPTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL8115811 0.83 MAPT (0.71) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21113593 0.83 KMT2A (0.55) MAPTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL28845231 0.83 KMT2A (0.55) MAPTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL20420223 0.81 KAT2B (0.70) MAPTSMN1; SMN2RAB9ALMNACYP3A4
SCHEMBL20419961 0.81 ALDH1A1 (0.57) MAPTSMN1; SMN2LMNACYP3A4CYP2C9

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-20200199174-A1 NOVEL FLUORESCENT LABELING METHOD THE UNIVERSITY OF TOKYO (JP) 2020-06-25 — — US disclosed
WO-2018135598-A1 NOVEL FLUORESCENT LABELING METHOD 国立大学法人 東京大学 2018-07-26 — — 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 (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-20200199174-A1 NOVEL FLUORESCENT LABELING METHOD RPS27A, DNPEP, DNM1L MAPT 1510/4885SMN1; SMN2 3697/4885RAB9A 674/4885

“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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