Sugi Predict

Sugi Predict / Compounds / SCHEMBL342477

SCHEMBL342477

SCHEMBL342477

O=C(O[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F)O[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 1/20 0.42
▸ KCNJ1 P48048 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL342479 0.90 KCNJ1 (0.44) LMNATSHRKCNJ1IDO1MEN1
SCHEMBL7761586 0.76 TSHR (0.49) LMNATSHRKCNJ1IDO1MEN1
SCHEMBL29151217 0.74 HTT (0.52) LMNAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL23111942 0.73 KMT2A (0.50) MEN1KMT2ACYP2C19ALDH1A1NPC1
SCHEMBL23409273 0.73 KMT2A (0.50) MEN1KMT2ACYP2C19ALDH1A1NPC1
SCHEMBL30912986 0.71 DPP4 (0.45) LMNATSHRKCNJ1IDO1LOXL2
SCHEMBL764762 0.71 ADRB2 (0.47) KCNJ1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL18775920 0.71 POLB (0.46) LMNAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL17120363 0.71 CA2 (0.45) LMNATSHRIDO1LOXL2CYP2C19
SCHEMBL7103432 0.71 LMNA (0.56) LMNATSHRIDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 — — US disclosed
EP-2411010-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 — — EP disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — US disclosed
US-20120015940-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — 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 (3 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-20120015940-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB LMNA 1193/4885TSHR 2951/4885KCNJ1 305/4885
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB LMNA 1504/4885TSHR 2148/4885KCNJ1 442/4885
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB LMNA 1534/4885TSHR 2939/4885KCNJ1 237/4885

“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.