SCHEMBL6830693

SCHEMBL6830693

CC(=O)Oc1ccc2c(C(=O)O)noc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
GLA P06280 6/20 0.49
GAA P10253 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FLT3 P36888 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL20031273 0.76 MAPT (0.49) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL8663270 0.76 HIF1A (0.49) KDM4EGAAALDH1A1NPC1MAPT
SCHEMBL6833638 0.75 KDM4E (0.41) KDM4EGLAGAAALDH1A1MAPT
SCHEMBL21819051 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2ACASP1RXFP1
SCHEMBL17442847 0.73 MAPT (0.42) KDM4EGLAGAAALDH1A1NPC1
SCHEMBL19900067 0.73 SCD5 (0.52) KDM4EGLAALDH1A1MAPTSMN1; SMN2
SCHEMBL28554333 0.73 NPC1 (0.48) KDM4EGLAGAAALDH1A1NPC1
SCHEMBL22672604 0.73 TBK1 (0.44) KDM4EGAAALDH1A1NPC1MAPT
SCHEMBL17338654 0.70 CASP3 (0.54) NPC1RAB9ATDP1
SCHEMBL11509288 0.70 MAPT (0.68) KDM4EGLAGAAALDH1A1NPC1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KDM4E 1240/4885GLA 1085/4885GAA 143/4885

“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.