SCHEMBL665075

SCHEMBL665075

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
FFAR2 O15552 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
SCHEMBL17439454 0.85 LMNA (0.48) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL1896858 0.83 LMNA (0.53) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL1325354 0.80 LMNA (0.51) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL2772986 0.80 LMNA (0.51) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL2772989 0.80 LMNA (0.51) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL27930079 0.79 LMNA (0.50) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL22187040 0.77 LMNA (0.46) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL28977221 0.77 LMNA (0.48) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL1458950 0.77 LMNA (0.57) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL12503021 0.76 SCD (0.47) LMNAFFAR1FFAR4TRPM8ALDH1A1

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 6 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-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 LMNA 594/4885FFAR1 4294/4885FFAR4 4591/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885FFAR1 912/4885FFAR4 1016/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885FFAR1 912/4885FFAR4 1016/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 LMNA 904/4885FFAR1 978/4885FFAR4 1292/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885FFAR1 4294/4885FFAR4 4591/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885FFAR1 912/4885FFAR4 1016/4885

“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.