SCHEMBL1334053

SCHEMBL1334053

C=C(C(=O)O)n1cnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LIPE Q05469 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
SRD5A2 P31213 1/20 0.38
PTPN1 P18031 1/20 0.38
MAP4K4 O95819 1/20 0.38
CYP2C9 P11712 1/20 0.38
XPO1 O14980 2/20 0.37
TP53 P04637 1/20 0.37
SLC6A2 P23975 1/20 0.37
P2RY14 Q15391 1/20 0.37
SLC6A7 Q99884 1/20 0.37
CYP2C8 P10632 1/20 0.37

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
SCHEMBL29082993 0.86 XPO1 (0.50) CES2HDAC6XPO1HDAC1
SCHEMBL16029912 0.71 CYP2C9 (0.57) HDAC6CYP2C9P2RY14PSEN1PSEN2
SCHEMBL18577755 0.69 HDAC6 (0.61) HDAC6SRD5A2HDAC1
SCHEMBL16046625 0.69 ABCG2 (0.45) TP53P2RY14ADORA3
SCHEMBL2743376 0.69 UBE2N (0.42) ALDH1A1LMNABCHEACHELIPE
SCHEMBL29869060 0.68 CES2 (0.53) CES2CES1SRD5A2PTPN1MAP4K4
SCHEMBL23002668 0.68 XPO1 (0.69) ALDH1A1HDAC6CYP2C9XPO1HDAC1
Hydrochloric Acid SCHEMBL16047569 0.68 ABCG2 (0.44) TP53P2RY14ADORA3
SCHEMBL1916590 0.68 HDAC1 (0.47) ALDH1A1HDAC6CYP2C9HDAC1
SCHEMBL27642540 0.67 SRD5A2 (0.55) KDM2BKDM4CCES2CES1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US claimed

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-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT ALDH1A1 4088/4885LMNA 158/4885BCHE 4864/4885

“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.