SCHEMBL15467718

SCHEMBL15467718

O=C(NCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
EPHX2 P34913 6/20 0.37
CYP2C9 P11712 2/20 0.37
CAMK1D Q8IU85 2/20 0.36
CCR2 P41597 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL794326 0.92 RXFP1 (0.36) TSHRKMT2ARXFP1EPHX2CYP2C9
SCHEMBL798260 0.91 ATF1 (0.40) TSHRKMT2ARXFP1EPHX2CYP2C9
SCHEMBL15466297 0.89 TSHR (0.37) TSHRKMT2ARXFP1EPHX2CYP2C9
SCHEMBL15466559 0.89 NR1H2 (0.36) TSHRCYP2C9CAMK1DNR1H2NR1H3
SCHEMBL794978 0.89 NR1H2 (0.43) TSHRCYP2C9CAMK1DNR1H2NR1H3
SCHEMBL793870 0.85 TSHR (0.40) TSHRKMT2ARXFP1EPHX2CYP2C9
SCHEMBL807955 0.84 EPHX2 (0.40) TSHRKMT2AEPHX2CYP2C9CCR2
SCHEMBL17857816 0.82 EPHX2 (0.35) RXFP1EPHX2CYP2C9KDM4ENR1H2
SCHEMBL3030705 0.81 NR1H2 (0.35) EPHX2NR1H2NR1H3
SCHEMBL796012 0.80 CCR4 (0.35) RXFP1EPHX2CYP2C9KDM4EKCNH2

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-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT TSHR 356/4885KMT2A 2333/4885RXFP1 1157/4885

“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.