SCHEMBL4518566

SCHEMBL4518566

N/C(=C\S)c1ccc(F)c(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TTR P02766 3/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL12291909 0.89 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL10151063 0.87 MAPT (0.43) HPGDSMN1; SMN2NPC1RAB9AALOX15
SCHEMBL18175108 0.81 SMN1; SMN2 (0.42) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL15075695 0.80 SMN1; SMN2 (0.51) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL19131131 0.80 TTR (0.59) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL19036704 0.77 ALDH1A1 (0.53) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL25852423 0.75 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4524615 0.74 ALDH1A1 (0.58) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL15384274 0.74 ALDH1A1 (0.58) HPGDSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1397520 0.72 HPGD (0.68) HPGDSMN1; SMN2NPC1RAB9AMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
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 (2 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 HPGD 1082/4885SMN1; SMN2 1895/4885NPC1 2375/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HPGD 1228/4885SMN1; SMN2 129/4885NPC1 73/4885

“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.

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