SCHEMBL13019341

SCHEMBL13019341

CC(C)Oc1nc(N(C)C)cc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
MDM2 Q00987 1/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.33
RXRG P48443 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5998545 0.77 PTGS1 (0.51) PTGS1PTGS2RXRARXRBCYP2C19
SCHEMBL28448873 0.70 HSP90AA1 (0.58) PTGS2MDM2HSD17B10KDM4EMAPT
SCHEMBL30544998 0.70 HSP90AA1 (0.58) PTGS2MDM2HSD17B10KDM4EMAPT
SCHEMBL13020746 0.69 MDM2 (0.48) MDM2RXRARXRBCYP2C19TSHR
SCHEMBL13064538 0.68 MDM2 (0.47) PTGS2MDM2RXRARXRBCYP2C19
SCHEMBL27626368 0.67 LMNA (0.59) PTGS1PTGS2CYP2C19TSHRCYP3A4
SCHEMBL24566849 0.67 MDM2 (0.45) MDM2HSD17B10KDM4EMAPTL3MBTL1
SCHEMBL16727181 0.65 BTK (0.43) PTGS1PTGS2CYP2C19TSHRCYP3A4
SCHEMBL10700717 0.64 MDM2 (0.43) MDM2CYP2C19TSHRCYP3A4CYP2D6
SCHEMBL25976842 0.62 CYP2C19 (0.44) PTGS1PTGS2CYP2C19TSHRCYP3A4

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 PTGS1 2967/4885PTGS2 3209/4885MDM2 1634/4885

“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.