SCHEMBL16336325

SCHEMBL16336325

Cc1ccc(C2(C(C)NC(=O)c3sc(-c4ncccn4)nc3C(F)(F)F)CCCCC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.39
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE2A O00408 2/20 0.33
FABP4 P15090 1/20 0.33
HCRTR1 O43613 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3745857 0.82 P2RX7 (0.45) P2RX7
SCHEMBL16336326 0.80 P2RX7 (0.42) P2RX7KDM4EHTTSMN1; SMN2TDP1
SCHEMBL3751362 0.71 P2RX7 (0.51) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3745240 0.71 P2RX7 (0.51) P2RX7SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3742857 0.70 P2RX7 (0.49) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3749021 0.70 P2RX7 (0.44) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3741938 0.69 POLB (0.52) P2RX7HTTMEN1KMT2A
SCHEMBL3738922 0.67 TP53 (0.51) P2RX7MEN1KMT2A
SCHEMBL3744975 0.67 TP53 (0.51) P2RX7MEN1KMT2A
SCHEMBL26795696 0.67 P2RX7 (0.42) P2RX7KDM4EHTTSMN1; SMN2TDP1

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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885KDM4E 3311/4885HTT 1960/4885

“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.