SCHEMBL6692260

SCHEMBL6692260

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2nnnn2CCN(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MCHR1 Q99705 1/20 0.37
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL6694822 0.90 KMT2A (0.46) TP53GAACMA1ALDH1A1MCHR1
SCHEMBL6696350 0.89 LMNA (0.45) TP53GAAALDH1A1MCHR1NTRK1
SCHEMBL1342559 0.86 TP53 (0.38) TP53GAAALDH1A1NTRK1NTRK2
SCHEMBL6696343 0.84 ALDH1A1 (0.44) TP53GAAALDH1A1NTRK1NTRK2
SCHEMBL1340739 0.83 MAPK14 (0.35) ALDH1A1SMN1; SMN2KMT2AMAPTUSP2
SCHEMBL1343358 0.83 KMT2A (0.36) TP53ALDH1A1NTRK1NTRK2KMT2A
SCHEMBL6697168 0.83 TP53 (0.42) TP53GAAALDH1A1NTRK1NTRK2
SCHEMBL6692265 0.82 TP53 (0.38) TP53GAAALDH1A1NTRK1NTRK2
SCHEMBL6696280 0.81 TP53 (0.49) TP53GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1343484 0.80 HSD17B10 (0.38) TP53GAAALDH1A1SMN1; SMN2MAPT

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-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 TP53 2961/4885GAA 48/4885CMA1 1814/4885

“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.