SCHEMBL1269350

SCHEMBL1269350

O=C1CC(c2ccccc2F)CN1c1ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTR6 P50406 2/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ BPTF Q12830 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GRM4 Q14833 1/20 0.32

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
SCHEMBL1268804 0.87 PROKR1 (0.36) PROKR1LMNAHTR6TSHRTP53
SCHEMBL1269328 0.86 HTR6 (0.36) LMNAHTR6TP53POLB
SCHEMBL1269325 0.83 SMN1; SMN2 (0.40) LMNAHTR6POLBUSP2ALDH1A1
SCHEMBL1268280 0.83 PROKR1 (0.39) PROKR1LMNAHTR6TP53POLB
SCHEMBL1269529 0.82 PROKR1 (0.40) PROKR1LMNAADRA1ATP53ALDH1A1
SCHEMBL1268371 0.81 PROKR1 (0.42) PROKR1LMNAADRA1AHPGDTP53
SCHEMBL1268426 0.81 LMNA (0.37) LMNATSHRTP53POLBUSP2
SCHEMBL1268439 0.80 TP53 (0.34) LMNAHPGDTP53POLBBPTF
SCHEMBL1269223 0.75 HTR6 (0.41) HTR6
SCHEMBL1269182 0.74 TP53 (0.38) LMNATSHRTP53POLBALDH1A1

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP PROKR1 3668/4885LMNA 1199/4885HTR6 3561/4885

“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.

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