Sugi Predict

Sugi Predict / Compounds / SCHEMBL3112969

SCHEMBL3112969

SCHEMBL3112969

COc1ccc(F)c(F)c1COc1cc([N+](=O)[O-])c(Cl)cc1CC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 4/20 0.40
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL3110238 0.88 LMNA (0.42) MAP2K1LMNAALDH1A1RAB9ACYP2C19
SCHEMBL3102436 0.83 LMNA (0.38) MAP2K1LMNAALDH1A1RAB9ACYP2C19
SCHEMBL3099715 0.83 LMNA (0.43) LMNAALDH1A1RAB9ACYP2C19MEN1
SCHEMBL3102438 0.83 LMNA (0.36) MAP2K1LMNAALDH1A1RAB9ACYP2C19
SCHEMBL3102729 0.82 LMNA (0.43) LMNAALDH1A1RAB9ACYP2C19MEN1
SCHEMBL3108223 0.82 GABRA1 (0.43) LMNAALDH1A1RAB9ACYP2C19MEN1
SCHEMBL3109860 0.80 LMNA (0.41) LMNAALDH1A1RAB9ACYP2C19MEN1
SCHEMBL3107557 0.80 LMNA (0.41) LMNAALDH1A1RAB9ACYP2C19MEN1
SCHEMBL3109749 0.79 LMNA (0.40) MAP2K1LMNAALDH1A1RAB9ACYP2C19
SCHEMBL3105048 0.79 LMNA (0.40) LMNAALDH1A1RAB9ACYP2C19MEN1

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 MAP2K1 2312/4885LMNA 4373/4885ALDH1A1 3357/4885

“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.