SCHEMBL4819863

SCHEMBL4819863

Cc1ccc(NC(=O)Nc2nc(CSc3ccccc3)c(S(=O)(=O)c3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1.O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2ncc[nH]2)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.33
NTRK2 Q16620 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MRGPRX1 Q96LB2 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL1342289 0.99 MAPT (0.33) NTRK1NTRK2MAPTALDH1A1KMT2A
SCHEMBL1342251 0.94 ALDH1A1 (0.33) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2650219 0.92 GRM4 (0.32) NTRK1NTRK2MAPTALDH1A1KDM4E
SCHEMBL1341024 0.91 MAPT (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1339918 0.90 NPC1 (0.33) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1342832 0.90 GRM4 (0.33) NTRK1NTRK2MAPTALDH1A1KDM4E
SCHEMBL1342736 0.90 MAPT (0.33) MAPTPRMT5WDR77MEN1KMT2A
SCHEMBL1342358 0.89 NTRK1 (0.33) NTRK1NTRK2MAPTALDH1A1RXFP1
SCHEMBL1341623 0.88 CCNE1 (0.33)
SCHEMBL1342444 0.88 GRM4 (0.31) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885MAPT 2678/4885

“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.