SCHEMBL666273

SCHEMBL666273

NC(=O)NC(C(N)=O)(c1ccccc1)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
AURKA O14965 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
SCD O00767 1/20 0.35
NR3C1 P04150 1/20 0.35
LMNA P02545 2/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL4231541 0.78 MAPT (0.50) KMT2ACYP1A2MAPTGAAL3MBTL1
SCHEMBL662298 0.75 NR1H2 (0.41) RAB9ANPC1KMT2AMEN1AURKA
SCHEMBL1458946 0.75 KMT2A (0.46) RAB9ANPC1KMT2AMEN1AURKA
SCHEMBL666600 0.72 KMT2A (0.39) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL662586 0.72 CYP2D6 (0.43) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL17439469 0.72 KMT2A (0.46) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL5370244 0.71 MAPT (0.45) KMT2ACYP1A2MAPTALDH1A1GAA
SCHEMBL8633925 0.71 NPC1 (0.39) RAB9ANPC1KMT2AMEN1AURKA
SCHEMBL7830805 0.70 RBBP9 (0.40) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL25420395 0.69 AURKA (0.43) RAB9ANPC1KMT2AMEN1AURKA

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 RAB9A 1580/4885NPC1 2375/4885KMT2A 2953/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2306/4885NPC1 73/4885KMT2A 4200/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2306/4885NPC1 73/4885KMT2A 4200/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2725/4885NPC1 283/4885KMT2A 3764/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RAB9A 1580/4885NPC1 2375/4885KMT2A 2953/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2306/4885NPC1 73/4885KMT2A 4200/4885

“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.