SCHEMBL15724809

SCHEMBL15724809

Cc1ccc2oc(C(C)N3CCN(C(=O)CO[C@H]4CC[C@H](N(C)c5ccc([N+](=O)[O-])c(C(F)(F)F)c5)CC4)CC3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
F2 P00734 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ENPP2 Q13822 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
STAT3 P40763 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SRD5A1 P18405 1/20 0.31
CASP6 P55212 1/20 0.30

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
SCHEMBL15709917 0.93 STAT3 (0.36) ARF2TPSAB1TPSD1TPSG1
SCHEMBL15727628 0.93 STAT3 (0.36) ARF2TPSAB1TPSD1TPSG1
SCHEMBL15724808 0.87 F2 (0.34) ARF2TPSAB1TPSD1TPSG1
SCHEMBL15724811 0.87 AR (0.33) ARENPP2CYP3A4CYP2C9CYP2C19
SCHEMBL15708093 0.82 STAT3 (0.34) ARENPP2CYP3A4CYP2C9CYP2C19
SCHEMBL15727730 0.82 STAT3 (0.34) ARENPP2CYP3A4CYP2C9CYP2C19
SCHEMBL12916396 0.81 MAPT (0.46) ARENPP2CYP3A4CYP2C9CYP2C19
SCHEMBL15724814 0.81 ENPP2 (0.37) ARENPP2CYP3A4CYP2C9CYP2C19
SCHEMBL23289957 0.81 AR (0.37) ARF2TPSAB1TPSD1TPSG1
SCHEMBL15708310 0.81 AR (0.37) ARF2TPSAB1TPSD1TPSG1

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 2 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
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 AR 3315/4885F2 272/4885TPSAB1 622/4885

“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.