SCHEMBL15727641

SCHEMBL15727641

O=C(CO[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2cc3cc(OC(F)(F)F)ccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
TMEM97 Q5BJF2 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AR P10275 4/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
F2 P00734 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL15708179 1.00 MAOA (0.36) MAOATMEM97HRH3ARCA2
SCHEMBL15708057 0.93 TMEM97 (0.38) TMEM97ARCA2CA9
SCHEMBL15724836 0.93 TMEM97 (0.38) TMEM97ARCA2CA9
SCHEMBL15708047 0.91 ENPP2 (0.36) TMEM97HRH3ARF2TPSAB1
SCHEMBL15724838 0.91 ENPP2 (0.36) TMEM97HRH3ARF2TPSAB1
SCHEMBL15708119 0.91 MAPK1 (0.38) MAOATMEM97HRH3F2TPSAB1
SCHEMBL15727614 0.91 MAPK1 (0.38) MAOATMEM97HRH3F2TPSAB1
SCHEMBL15708134 0.91 TMEM97 (0.35) TMEM97HRH3F2TPSAB1TPSD1
SCHEMBL15707997 0.91 TMEM97 (0.35) TMEM97HRH3ARCA2CA9
SCHEMBL15724816 0.91 TMEM97 (0.35) TMEM97HRH3F2TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 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 (1 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-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 MAOA 1280/4885TMEM97 3459/4885HRH3 141/4885

“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.