SCHEMBL3302704

SCHEMBL3302704

COc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)OC(C)C)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 9/20 0.46
MEN1 O00255 7/20 0.46
MAPT P10636 6/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.44
TP53 P04637 3/20 0.43
GAA P10253 2/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
LPAR1 Q92633 1/20 0.41

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
SCHEMBL3302702 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14113715 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL3299175 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL3299178 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL14113411 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL3307431 0.89 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14113717 0.89 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL3307426 0.89 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL3298508 0.88 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3298501 0.88 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTRAB9A

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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 ALDH1A1 872/4885KMT2A 1665/4885MEN1 2505/4885

“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.