SCHEMBL3407865

SCHEMBL3407865

C[C@]1(c2ccccc2)NC(=O)N(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
ADAM17 P78536 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
GPR183 P32249 2/20 0.39

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
SCHEMBL3407870 1.00 MAOB (0.44) MAOBCYP1A1CYP1B1CYP1A2LMNA
SCHEMBL3410767 1.00 MAOB (0.44) MAOBCYP1A1CYP1B1CYP1A2LMNA
SCHEMBL3410772 1.00 MAOB (0.44) MAOBCYP1A1CYP1B1CYP1A2LMNA
SCHEMBL3413674 0.88 ALDH1A1 (0.49) CYP1A2LMNAHDAC6HDAC3HDAC1
SCHEMBL3408917 0.84 AR (0.39) ALDH1A1GPR183
SCHEMBL3408922 0.84 AR (0.39) ALDH1A1GPR183
SCHEMBL3413189 0.80 MAPT (0.47) CYP1A1CYP1B1CYP1A2LMNAHDAC6
SCHEMBL3413194 0.80 MAPT (0.47) CYP1A1CYP1B1CYP1A2LMNAHDAC6
SCHEMBL11971113 0.68 CYP1A2 (0.86) MAOBCYP1A1CYP1B1CYP1A2LMNA
SCHEMBL11971119 0.68 CYP1A2 (0.86) MAOBCYP1A1CYP1B1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063118-A1 Hydantoins Having RNase Modulatory Activity WYETH (US) 2010-03-11 US claimed
US-20050203156-A1 Hydantoins having RNase modulatory activity WYETH (US) 2005-09-15 US claimed
US-20100063118-A1 Hydantoins Having RNase Modulatory Activity WYETH (US) 2010-03-11 US disclosed
WO-2005090316-A1 HYDANTOINS HAVING RNase MODULATORY ACTIVITY WYETH (US) 2005-09-29 WO disclosed
US-20050203156-A1 Hydantoins having RNase modulatory activity WYETH (US) 2005-09-15 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 (2 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-20100063118-A1 Hydantoins Having RNase Modulatory Activity RNASEH1, RNASE1, RNASEL MAOB 1247/4885CYP1A1 2405/4885CYP1B1 3315/4885
US-20050203156-A1 Hydantoins having RNase modulatory activity RNASEH1, RNASE1, RNASEL MAOB 1247/4885CYP1A1 2405/4885CYP1B1 3315/4885

“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.