SCHEMBL3116334

SCHEMBL3116334

COc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SCN2A Q99250 1/20 0.42
NR1H2 P55055 4/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
VDR P11473 1/20 0.41
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.39
CES1 P23141 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
SCHEMBL30002768 1.00 NR1H3 (0.44) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL3094283 0.86 KMT2A (0.46) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL10300135 0.84 CYP3A4 (0.41) KMT2AMEN1SCN2ACASP3
SCHEMBL28957713 0.83 GRM1 (0.44) NR1H3KMT2AMEN1NR1H2ALDH1A1
SCHEMBL28957692 0.81 CYP3A4 (0.46) KMT2AMEN1NR1H2CASP6
SCHEMBL28957696 0.80 GRM1 (0.46) NR1H3KMT2AMEN1NR1H2ALDH1A1
SCHEMBL30273421 0.80 GRM1 (0.46) NR1H3KMT2AMEN1NR1H2ALDH1A1
SCHEMBL28892345 0.79 MEN1 (0.40) NR1H3KMT2AMEN1ALDH1A1LMNA
SCHEMBL5388798 0.79 PPOX (0.56) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL10300139 0.79 NR1H3 (0.48) NR1H3KMT2AMEN1SCN2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
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-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-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
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
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 NR1H3 470/4885KMT2A 2609/4885MEN1 1726/4885

“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.