SCHEMBL20420121

SCHEMBL20420121

NCCOCCOCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GAA P10253 2/20 0.46
▸ KAT2B Q92831 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44

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
SCHEMBL20420230 0.91 MAPT (0.65) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20420165 0.80 MAPT (0.58) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20420265 0.79 KAT2B (0.57) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22126304 0.79 HCAR3 (0.57) MAPTLMNAALDH1A1KAT2B
SCHEMBL27653716 0.78 GAA (0.53) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL117687 0.78 GAA (0.56) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8313808 0.78 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20420118 0.77 POLB (0.42) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20419968 0.77 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL20420227 0.77 MAPT (0.51) MAPTSMN1; SMN2RAB9ANPC1LMNA

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.

Send feedback