SCHEMBL7537664

SCHEMBL7537664

Nc1ccnc2cc(CN3CC[C@@H](NC(Cc4cc5cc(Cl)ccc5[nH]4)c4ccn[nH]4)C3=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.48
CYP51A1 Q16850 2/20 0.33
PYGL P06737 2/20 0.33
SLC2A1 P11166 1/20 0.33
PYGM P11217 1/20 0.33
IDH1 O75874 1/20 0.33
NR4A2 P43354 1/20 0.33
SOS2 Q07890 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL7407650 0.86 F10 (0.44) F10CYP51A1PYGLSLC2A1PYGM
SCHEMBL7412784 0.84 F10 (0.52) F10SLC2A1IDH1NR4A2SOS2
SCHEMBL7412788 0.84 F10 (0.52) F10SLC2A1IDH1NR4A2SOS2
Trifluoroacetic Acid SCHEMBL7537550 0.79 F10 (0.47) F10CYP51A1PYGLSLC2A1PYGM
Trifluoroacetic Acid SCHEMBL7407257 0.79 F10 (0.47) F10CYP51A1PYGLSLC2A1PYGM
SCHEMBL1651767 0.76 F10 (0.79) F10NR4A2SOS2
SCHEMBL1654359 0.75 F10 (0.57) F10SLC2A1NR4A2SOS2
SCHEMBL1652551 0.75 F10 (0.57) F10SLC2A1NR4A2SOS2
SCHEMBL7543827 0.74 F10 (0.47) F10F2
SCHEMBL7371873 0.74 F10 (0.48) F10CYP51A1PYGLSLC2A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US claimed

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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 F10 20/4885CYP51A1 181/4885PYGL 70/4885

“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.