SCHEMBL29323985

SCHEMBL29323985

CC(CN(C)C)C(=O)/C=C/c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NFE2L2 Q16236 3/20 0.41
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
BACE1 P56817 2/20 0.38
APP P05067 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
PLA2G7 Q13093 1/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL24366504 0.84 HSD11B1 (0.50) APPMEN1ALDH1A1LMNAKMT2A
SCHEMBL6298371 0.81 PTGS2 (0.52) PTGS2CYP1A1CYP1A2CYP1B1NFE2L2
SCHEMBL6298372 0.81 PTGS2 (0.52) PTGS2CYP1A1CYP1A2CYP1B1NFE2L2
SCHEMBL24364714 0.78 NPC1 (0.49) CYP1A2CYP1B1TRPM8ALDH1A1LMNA
SCHEMBL8194922 0.76 NOS2 (0.45) PTGS2CA12CA9CA1CA2
SCHEMBL31145160 0.75 PADI4 (0.38) NFE2L2MEN1KMT2AHDAC3HDAC1
SCHEMBL24365575 0.75 PADI4 (0.38) NFE2L2MEN1KMT2AHDAC3HDAC1
Hydrochloric Acid SCHEMBL3861171 0.75 NOS2 (0.44) PTGS2CA12CA9CA1CA2
Hydrochloric Acid SCHEMBL3861175 0.75 NOS2 (0.44) PTGS2CA12CA9CA1CA2
SCHEMBL3864838 0.74 NOS2 (0.55)

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-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PTGS2 2796/4885CYP1A1 21/4885CYP1A2 50/4885

“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.