SCHEMBL662298

SCHEMBL662298

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
AURKA O14965 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.35
ACKR3 P25106 1/20 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
SCHEMBL1458946 0.79 KMT2A (0.46) NR1H2KMT2AMAPTNPC1RAB9A
SCHEMBL17968493 0.76 MAPT (0.56) KMT2AMAPTKCNN4CYP1A2
SCHEMBL662586 0.75 CYP2D6 (0.43) NR1H2KMT2AMAPTNPC1RAB9A
SCHEMBL666600 0.75 KMT2A (0.39) NR1H2KMT2AMAPTNPC1RAB9A
SCHEMBL666273 0.75 RAB9A (0.38) NR1H2KMT2AMAPTNPC1RAB9A
SCHEMBL17439469 0.75 KMT2A (0.46) KMT2AMAPTMEN1KDM4EALOX5
SCHEMBL1255675 0.75 PDPK1 (0.42) NR1H2KMT2ANPC1RAB9AMEN1
SCHEMBL8633925 0.74 NPC1 (0.39) NR1H2KMT2ANPC1RAB9AMEN1
SCHEMBL7830805 0.73 RBBP9 (0.40) NR1H2KMT2AMAPTNPC1RAB9A
SCHEMBL2416183 0.72 MEN1 (0.36) NR1H2KMT2ANPC1RAB9AMEN1

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 NR1H2 1525/4885KMT2A 2953/4885MAPT 2844/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR1H2 175/4885KMT2A 4200/4885MAPT 568/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR1H2 175/4885KMT2A 4200/4885MAPT 568/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 NR1H2 203/4885KMT2A 3764/4885MAPT 2107/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR1H2 1525/4885KMT2A 2953/4885MAPT 2844/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR1H2 175/4885KMT2A 4200/4885MAPT 568/4885

“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.