SCHEMBL3920433

SCHEMBL3920433

O=C1C(Cc2ccccc2)NC2(CCN(C(=S)NCC3CCCCC3)CC2)N1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CCR5 P51681 2/20 0.35
PKM P14618 1/20 0.35
CACNA1G O43497 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4041825 0.86 NPSR1 (0.43) KMT2ANPSR1ALDH1A1MEN1GAA
SCHEMBL4032393 0.85 SIGMAR1 (0.39) ATMKMT2AALDH1A1SIGMAR1MEN1
SCHEMBL3918988 0.84 ATM (0.43) ATMKMT2AALDH1A1SIGMAR1MEN1
SCHEMBL3926307 0.84 KMT2A (0.44) KMT2ANPSR1ALDH1A1MEN1GAA
SCHEMBL4038442 0.84 KMT2A (0.38) ATMKMT2ANPSR1ALDH1A1SIGMAR1
SCHEMBL3927356 0.83 LMNA (0.47) ATMKMT2ANPSR1ALDH1A1SIGMAR1
SCHEMBL3923623 0.82 ATM (0.44) ATMKMT2AALDH1A1SIGMAR1MEN1
SCHEMBL4034845 0.80 SIGMAR1 (0.44) ATMKMT2AALDH1A1SIGMAR1MEN1
SCHEMBL3916075 0.79 LMNA (0.44) KMT2ANPSR1ALDH1A1MEN1
SCHEMBL3917759 0.78 NPSR1 (0.39) KMT2ANPSR1ALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 ATM 3799/4885KMT2A 4051/4885NPSR1 1350/4885

“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.