SCHEMBL10300188

SCHEMBL10300188

CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL10300185 0.87 C5AR1 (0.47) ESR1MAPTNPSR1ALDH1A1KDM4E
SCHEMBL5467219 0.82 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2PGRLMNA
SCHEMBL13577005 0.81 PGR (0.49) MAPTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11101277 0.80 VCAM1 (0.58) MAPTNPSR1VCAM1ALDH1A1KDM4E
SCHEMBL10300187 0.80 PSEN1 (0.50) ESR1MAPTALDH1A1KDM4EPSEN1
SCHEMBL13577009 0.80 ALDH1A1 (0.56) MAPTNPSR1ALDH1A1KDM4EPKM
SCHEMBL3106789 0.80 KMT2A (0.43) MAPTNPSR1ALDH1A1KDM4EPSEN1
SCHEMBL13577041 0.79 PSEN1 (0.46) MAPTNPSR1VCAM1KDM4EPSEN1
SCHEMBL13577037 0.79 PSEN1 (0.46) MAPTALDH1A1KDM4EPSEN1PSEN2
SCHEMBL13577029 0.79 MAPT (0.44) MAPTNPSR1VCAM1ALDH1A1KDM4E

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
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

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 ESR1 35/4885MAPT 4731/4885NPSR1 62/4885

“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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