SCHEMBL20420118

SCHEMBL20420118

NCCOCCOCCNc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33

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 0.80 MAPT (0.65) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20420121 0.77 MAPT (0.53) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9363364 0.72 ALDH1A1 (0.43) POLBMAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL30600294 0.70 ALDH1A1 (0.39) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3451748 0.68 RXRA (0.50) MAPTLMNAIDO1HTTCES2
SCHEMBL9363550 0.68 POLB (0.49) POLBMAPTPDE3BPDE3AALDH1A1
SCHEMBL25039465 0.67 CA1 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8342305 0.67 PTGER4 (0.56) MAPTSMN1; SMN2NPC1RAB9APDE3B
SCHEMBL9362895 0.67 PDE3B (0.49) POLBMAPTPDE3BPDE3AALDH1A1
Bromide SCHEMBL20984179 0.67 ALDH1A1 (0.52) POLBMAPTRAB9AALDH1A1CYP1A2

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 POLB 4387/4885MAPT 1510/4885SMN1; SMN2 3697/4885

“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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