SCHEMBL5111409

SCHEMBL5111409

O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(C(=S)Nc3ccc(F)cc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5111734 0.91 NPC1 (0.49) POLBRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL5113967 0.90 RAB9A (0.45) POLBRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL1457198 0.87 NAMPT (0.48) POLBRAB9AGAALMNAMAPT
SCHEMBL5126307 0.86 MAPT (0.41) POLBKMT2AMEN1CYP2C19MAPT
SCHEMBL1457500 0.85 POLB (0.47) POLBRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL5122782 0.85 MEN1 (0.47) POLBSMN1; SMN2KMT2AGAAMEN1
SCHEMBL5118862 0.85 SMN1; SMN2 (0.47) POLBSMN1; SMN2KMT2AGAAMEN1
SCHEMBL5111849 0.84 MAPT (0.52) POLBKMT2AGAAMEN1LMNA
SCHEMBL5121165 0.84 GAA (0.47) POLBSMN1; SMN2KMT2AGAAMEN1
SCHEMBL5127745 0.83 LMNA (0.45) SMN1; SMN2KMT2AGAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 POLB 3854/4885RAB9A 2527/4885SMN1; SMN2 4677/4885

“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.