Sugi Predict

Sugi Predict / Compounds / SCHEMBL3109749

SCHEMBL3109749

SCHEMBL3109749

COc1ccc(F)c(F)c1COc1cc([N+](=O)[O-])c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL3107750 0.84 NPC1 (0.34) MEN1KMT2AMAPTNPC1PKM
SCHEMBL3110238 0.84 LMNA (0.42) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3099715 0.82 LMNA (0.43) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3108223 0.81 GABRA1 (0.43) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3109757 0.80 LMNA (0.36) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3109860 0.80 LMNA (0.41) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3102729 0.80 LMNA (0.43) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3112969 0.79 MAP2K1 (0.40) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3105048 0.78 LMNA (0.40) LMNAALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL3107557 0.77 LMNA (0.41) LMNAALDH1A1CYP2C19CYP1A2CYP2D6

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
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 — — EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 — — US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 — — US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 — — EP 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR LMNA 4373/4885ALDH1A1 3357/4885CYP2C19 546/4885

“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.