SCHEMBL7542716

SCHEMBL7542716

Nc1ncnc2cc(CN3CCCC3=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.56
GRM2 Q14416 3/20 0.48
MAP4K4 O95819 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
NLRP3 Q96P20 2/20 0.44
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 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
Hydrochloric Acid SCHEMBL7375541 0.99 F10 (0.55) F10GRM2MAP4K4L3MBTL1NLRP3
SCHEMBL1652172 0.83 F10 (0.73) F10
SCHEMBL1651553 0.83 F10 (0.56) F10MAP4K4
SCHEMBL4397010 0.82 F10 (0.61) F10MAP4K4
Hydrochloric Acid SCHEMBL4385581 0.82 F10 (0.56) F10MAP4K4
SCHEMBL4391128 0.80 F10 (0.67) F10
SCHEMBL4392437 0.79 F10 (0.58) F10GRM2
SCHEMBL4387460 0.78 F10 (0.65) F10
SCHEMBL4387598 0.78 F10 (0.63) F10
SCHEMBL6221509 0.78 F10 (0.52) F10

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 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 F10 20/4885GRM2 4032/4885MAP4K4 3077/4885

“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.