SCHEMBL3107793

SCHEMBL3107793

Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
BRD1 O95696 1/20 0.47
BRPF1 P55201 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PABPC1 P11940 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42

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
SCHEMBL13248880 0.91 KMT2A (0.57) KITPSEN1PSEN2APH1BNCSTN
SCHEMBL13248887 0.89 KMT2A (0.56) KITKMT2AMEN1MAPTALDH1A1
SCHEMBL3120441 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3117446 0.87 LMNA (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13248882 0.86 PGR (0.52) KITKMT2AMAPTALDH1A1LMNA
SCHEMBL13248884 0.85 KIT (0.49) KITBRD1BRPF1KMT2AMEN1
SCHEMBL13248894 0.85 KIT (0.47) KITKMT2AMEN1MAPTALDH1A1
SCHEMBL13248893 0.84 KMT2A (0.45) KITPSEN1PSEN2APH1BNCSTN
SCHEMBL4661391 0.84 ALDH1A1 (0.46) BRD1BRPF1KMT2AMEN1MAPT
SCHEMBL13248890 0.84 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
EP-1919890-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007020426-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2007-02-22 WO 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-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS TREH, TYMP, EPX KIT 1730/4885PSEN1 2704/4885PSEN2 3919/4885

“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.