SCHEMBL20419968

SCHEMBL20419968

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KAT2B Q92831 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL20420113 0.85 KAT2B (0.53) MAPTSMN1; SMN2RAB9ANPC1KAT2B
SCHEMBL20420230 0.84 MAPT (0.65) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL28845231 0.81 KMT2A (0.55) MAPTSMN1; SMN2KAT2BALDH1A1LMNA
SCHEMBL21113593 0.81 KMT2A (0.55) MAPTSMN1; SMN2KAT2BALDH1A1LMNA
SCHEMBL23705193 0.81 KMT2A (0.55) MAPTSMN1; SMN2KAT2BALDH1A1LMNA
SCHEMBL20420152 0.80 KAT2B (0.49) MAPTSMN1; SMN2RAB9ANPC1KAT2B
SCHEMBL20420223 0.80 KAT2B (0.70) MAPTSMN1; SMN2RAB9AKAT2BALDH1A1
SCHEMBL20419961 0.80 ALDH1A1 (0.57) MAPTSMN1; SMN2KAT2BALDH1A1LMNA
SCHEMBL21751587 0.78 MAPT (0.62) MAPTSMN1; SMN2KAT2BLMNAKMT2A
SCHEMBL21751550 0.78 MAPT (0.62) MAPTSMN1; SMN2KAT2BLMNAKMT2A

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 3 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
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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