SCHEMBL668133

SCHEMBL668133

CC(=O)N(c1nc(-c2ccccc2C)cs1)c1nc(-c2ccccc2C)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATP4A P20648 3/20 0.49
ATP4B P51164 3/20 0.49
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
C1S P09871 1/20 0.39
GRM1 Q13255 1/20 0.39
DHODH Q02127 1/20 0.39
GSTO1 P78417 1/20 0.39
FFAR2 O15552 2/20 0.38

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
SCHEMBL19679628 0.80 ATP4A (0.51) ALDH1A1ATP4AATP4BLMNAMEN1
SCHEMBL21022865 0.75 ATP4A (0.47) ALDH1A1ATP4AATP4BKMT2AL3MBTL1
SCHEMBL6664901 0.73 ATP4A (0.58) ATP4AATP4BRAB9ANPC1SIRT5
SCHEMBL8698425 0.72 ATP4A (0.57) ALDH1A1ATP4AATP4BKDM4ERAB9A
SCHEMBL10809913 0.72 MAPT (0.57) ALDH1A1ATP4AATP4BLMNAMEN1
SCHEMBL10955195 0.72 ATP4A (0.57) ALDH1A1ATP4AATP4BLMNAKDM4E
SCHEMBL19679623 0.71 ATP4A (0.47) ATP4AATP4BLMNAMEN1KMT2A
SCHEMBL3835119 0.71 HSD17B10 (0.62) ALDH1A1ATP4AATP4BLMNAMEN1
SCHEMBL30122888 0.71 HSD17B10 (0.62) ALDH1A1ATP4AATP4BLMNAMEN1
SCHEMBL668132 0.70 ATP4A (0.55) ALDH1A1ATP4AATP4BLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
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
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (6 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 1104/4885ATP4A 2935/4885ATP4B 3663/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885ATP4A 433/4885ATP4B 1162/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885ATP4A 433/4885ATP4B 1162/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 1173/4885ATP4A 306/4885ATP4B 695/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885ATP4A 2935/4885ATP4B 3663/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885ATP4A 433/4885ATP4B 1162/4885

“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.