SCHEMBL4524615

SCHEMBL4524615

N/C(=C\S)c1ccc(N2CCCCCC2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HPGD P15428 5/20 0.58
MAPT P10636 4/20 0.58
TSHR P16473 2/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 5/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL15384274 1.00 ALDH1A1 (0.58) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL10151063 0.87 MAPT (0.43) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL12291909 0.86 HPGD (0.60) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL30856491 0.83 MAPT (0.67) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL4531746 0.82 TAAR1 (0.44) ALDH1A1GAAKDM4EL3MBTL1HSD17B10
SCHEMBL15384355 0.80 KDM4E (0.40) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL4539478 0.80 TAAR1 (0.45) GAAKDM4EL3MBTL1HSD17B10POLB
SCHEMBL6125360 0.78 HPGD (0.68) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL15075776 0.77 MAPT (0.56) ALDH1A1HPGDMAPTTSHRRAB9A
SCHEMBL17195413 0.76 MAPT (0.68) ALDH1A1HPGDMAPTTSHRRAB9A

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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885HPGD 1082/4885MAPT 2844/4885

“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.