SCHEMBL3208864

SCHEMBL3208864

CNC(=O)c1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
HAO1 Q9UJM8 1/20 0.43
MKNK2 Q9HBH9 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 1/20 0.40
SLC16A3 O15427 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 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
SCHEMBL1921254 0.83 TSHR (0.52) HAO1AKR1C2AKR1C1FFAR1MAPT
SCHEMBL3213542 0.81 NPC1 (0.53) GRM5HAO1AKR1C2AKR1C1FFAR1
SCHEMBL28253118 0.77 S1PR3 (0.46) HDAC8HDAC6MAPT
SCHEMBL3217924 0.76 PIN1 (0.50)
SCHEMBL774400 0.76 CXCR5 (0.44)
SCHEMBL3224528 0.76 NPC1 (0.59) MAPT
SCHEMBL3215269 0.75 PDK1 (0.52) FFAR1
SCHEMBL775406 0.74 GRN (0.56)
SCHEMBL3197482 0.74 GRN (0.56)
SCHEMBL4161973 0.72 MEN1 (0.61) HDAC8HDAC6MAPT

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B GRM5 3785/4885HAO1 4080/4885MKNK2 919/4885

“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.