SCHEMBL3198491

SCHEMBL3198491

Cc1c(Cc2cccc(C(F)(F)F)c2)sc2c(-c3cc(F)cc(C(=O)NCC(N)=O)c3)cccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.60
MLYCD O95822 1/20 0.40
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
BACE1 P56817 1/20 0.38
CCR1 P32246 2/20 0.38
PPARG P37231 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
SCHEMBL1857872 0.97 GPR52 (0.57) GPR52MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL3206568 0.92 GPR52 (0.62) GPR52MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL1847725 0.91 GPR52 (0.70) GPR52MLYCDMRGPRX4BACE1PPARG
SCHEMBL3198309 0.90 GPR52 (0.48) GPR52BACE1
SCHEMBL3212271 0.89 GPR52 (0.57) GPR52
SCHEMBL1856392 0.89 GPR52 (0.55) GPR52MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL1852132 0.88 GPR52 (0.59) GPR52MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL1852457 0.87 GPR52 (0.44) GPR52MLYCDMEN1KMT2ABACE1
SCHEMBL1852456 0.87 GPR52 (0.46) GPR52
SCHEMBL1850998 0.86 GPR52 (0.44) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885MLYCD 3337/4885MEN1 4760/4885

“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.