SCHEMBL6698002

SCHEMBL6698002

NCc1sccc1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
KEAP1 Q14145 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.31
CYP19A1 P11511 1/20 0.31
LTA4H P09960 1/20 0.31
HRH1 P35367 1/20 0.31
PDPK1 O15530 1/20 0.31

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 SCHEMBL23498170 0.84 HRH1 (0.39) ADRB2KEAP1LOXL2ALDH1A1KDM4E
SCHEMBL14886179 0.69 PLA2G10 (0.36) ALDH1A1TSHRCYP19A1PDPK1
SCHEMBL16011605 0.67 BCAT2 (0.59) ALDH1A1KDM4E
SCHEMBL6409480 0.65 DPP4 (0.54) ADRB2LOXL2ALDH1A1KDM4ENOS1
SCHEMBL29473237 0.65 DPP4 (0.54) ADRB2LOXL2ALDH1A1KDM4ENOS1
SCHEMBL3718637 0.65 PTGS1 (0.49) KEAP1LOXL2
SCHEMBL14883258 0.65 BRD4 (0.32) CYP19A1PDPK1
Ethylenediamine SCHEMBL9746025 0.64 ADRB2 (0.46) ADRB2LOXL2ALDH1A1KDM4ENOS1
Benzyl Alcohol SCHEMBL8582860 0.63 TSHR (0.45) KEAP1LOXL2ALDH1A1TSHRDPP4
SCHEMBL17681955 0.63 ADORA2A (0.39) ALDH1A1TSHR

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-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 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-20040014687-A1 Macrolide antibacterial compounds MRPL21, NOP2, PIGS ADRB2 4380/4885KEAP1 3140/4885LOXL2 3557/4885

“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.