SCHEMBL3108169

SCHEMBL3108169

COc1cc(F)c(N)cc1S(=O)(=O)N1CCCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.66
▸ CRHR2 Q13324 1/20 0.66
▸ TSHR P16473 2/20 0.62
▸ MCOLN3 Q8TDD5 1/20 0.62
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ POLB P06746 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL10300201 0.87 CRHBP (0.66) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL10300203 0.86 CRHBP (0.65) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL10300200 0.84 CRHBP (0.71) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL3107412 0.83 CRHBP (0.60) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL3094235 0.82 CRHBP (0.45) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL30002743 0.81 POLB (0.53) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL31058476 0.79 KMT2A (0.69) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL2992335 0.79 KMT2A (0.67) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL30002775 0.79 POLB (0.80) CRHBPCRHR2TSHRMCOLN3KMT2A
SCHEMBL10300207 0.78 CRHBP (0.49) CRHBPCRHR2TSHRMCOLN3KMT2A

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 8 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-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 CRHBP 1472/4885CRHR2 33/4885TSHR 565/4885

“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.

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