SCHEMBL5120168

SCHEMBL5120168

O=C(C1=NOC2(CCN(C(=S)NCc3ccc4c(c3)OCO4)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
KIT P10721 5/20 0.51
PDGFRA P16234 4/20 0.47
FLT3 P36888 2/20 0.47
GAA P10253 1/20 0.46
PDGFRB P09619 4/20 0.46
KDR P35968 1/20 0.46
PKM P14618 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH2 P05091 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
SCHEMBL1456908 0.90 KIT (0.43) ALDH1A1LMNAHPGDKITPDGFRA
SCHEMBL1457523 0.83 P2RY12 (0.48) LMNA
SCHEMBL5119052 0.80 CHRM4 (0.42)
SCHEMBL5115550 0.80 P2RY12 (0.49) PDGFRAPDGFRB
SCHEMBL5115851 0.80 TRPA1 (0.46)
SCHEMBL5120411 0.79 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGAAPKM
SCHEMBL5115830 0.78 KDM4E (0.46) ALDH1A1PKMMAPTKDM4E
SCHEMBL1457229 0.78 TRPA1 (0.54) PDGFRAPDGFRB
SCHEMBL5117962 0.78 P2RY12 (0.51) KITPDGFRAPDGFRB
SCHEMBL5125632 0.78 TRPA1 (0.46) LMNAGAAPKMMAPTMAPK1

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 ALDH1A1 281/4885LMNA 421/4885HPGD 100/4885

“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.