SCHEMBL5126853

SCHEMBL5126853

O=C(C1=NOC2(CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.43
TRPA1 O75762 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PHGDH O43175 2/20 0.41
TRPV1 Q8NER1 3/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5118465 0.92 KDM4E (0.51) HSD11B1TRPA1KDM4EGAATRPV1
SCHEMBL1457262 0.90 TRPA1 (0.42) SMN1; SMN2HTTKMT2AHSD11B1TRPA1
SCHEMBL5119463 0.88 TRPA1 (0.47) SMN1; SMN2MAPTLMNATRPA1GAA
SCHEMBL1457626 0.88 TRPA1 (0.45) HSD11B1TRPA1KDM4EGAATRPV1
SCHEMBL5121480 0.87 TRPA1 (0.51) MAPTLMNATRPA1GAATRPV1
SCHEMBL5114396 0.87 PHGDH (0.44) KMT2AMAPTLMNATRPA1KDM4E
SCHEMBL5119805 0.86 ALDH1A1 (0.50) SMN1; SMN2KMT2AMAPTLMNAKDM4E
SCHEMBL5125632 0.86 TRPA1 (0.46) KMT2AMAPTLMNATRPA1GAA
SCHEMBL5115293 0.84 TRPV1 (0.51) MAPTTRPA1KDM4ETRPV1
SCHEMBL5120186 0.83 KDM4E (0.52) TRPA1KDM4ETRPV1

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 SMN1; SMN2 4677/4885HTT 1428/4885KMT2A 4068/4885

“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.