SCHEMBL6045642

SCHEMBL6045642

Cc1csc(C2(Nc3ccccc3)CCN(Cc3ccccc3)C(C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 6/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CPS1 P31327 1/20 0.32
MAPT P10636 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
SCHEMBL6045533 0.85 CYP3A4 (0.45) KMT2ASIGMAR1
SCHEMBL6045603 0.76 LMNA (0.44) GAARAB9AKMT2ASIGMAR1MAPT
SCHEMBL6045634 0.74 CPS1 (0.35) BACE1KMT2ASIGMAR1CPS1
SCHEMBL6045710 0.73 SMN1; SMN2 (0.44) KMT2A
SCHEMBL11565288 0.72 NPFFR1 (0.44) BACE1SIGMAR1TMEM97MAPT
SCHEMBL6045431 0.71 PDK1 (0.34) BACE1CPS1
Fumaric Acid SCHEMBL6045619 0.71 SIGMAR1 (0.34) BACE1GAAKMT2ASIGMAR1CPS1
Fumaric Acid SCHEMBL6045613 0.71 SIGMAR1 (0.34) BACE1GAAKMT2ASIGMAR1CPS1
SCHEMBL6045741 0.71 SMN1; SMN2 (0.55) BACE1SIGMAR1TMEM97MAPT
SCHEMBL28791743 0.71 HRH2 (0.41) BACE1SIGMAR1TMEM97MAPT

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR BACE1 3158/4885GAA 4863/4885RAB9A 1233/4885

“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.