SCHEMBL3105048

SCHEMBL3105048

COc1ccc(F)c(F)c1COc1cc([N+](=O)[O-])c(Cl)cc1OCCF

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
S1PR4 O95977 4/20 0.39
MAPT P10636 8/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL3099715 0.92 LMNA (0.43) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL3109860 0.85 LMNA (0.41) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL3102729 0.85 LMNA (0.43) LMNAS1PR4MAPTSMN1; SMN2CYP1A2
SCHEMBL3102436 0.84 LMNA (0.38) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL3102438 0.84 LMNA (0.36) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL3110238 0.83 LMNA (0.42) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL3107557 0.82 LMNA (0.41) LMNAS1PR4MAPTHPGDSMN1; SMN2
SCHEMBL30003307 0.82 GNRHR (0.42) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL10300131 0.82 GNRHR (0.42) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL28892479 0.82 ALDH1A1 (0.41) LMNAS1PR4MAPTHPGDSMN1; SMN2

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 4373/4885S1PR4 1993/4885MAPT 4731/4885

“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.