SCHEMBL3409761

SCHEMBL3409761

Cc1cc(Cl)nc(N2CCCCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
GBA1 P04062 6/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3410110 0.98 HTT (0.51) HTTGBA1CRHBPCRHR2SMN1; SMN2
SCHEMBL29826722 0.98 HTT (0.51) HTTGBA1CRHBPCRHR2SMN1; SMN2
SCHEMBL12344127 0.94 HTT (0.51) HTTGBA1KMT2AMEN1KDM4E
SCHEMBL15334687 0.86 SMN1; SMN2 (0.48) HTTSMN1; SMN2KMT2AMEN1RECQL
SCHEMBL13693076 0.86 KMT2A (0.55) HTTGBA1CRHBPCRHR2SMN1; SMN2
SCHEMBL1697668 0.84 CASP1 (0.48) HTTSMN1; SMN2KMT2AMEN1RECQL
SCHEMBL1708189 0.84 KMT2A (0.56) HTTGBA1CRHBPCRHR2SMN1; SMN2
SCHEMBL24394696 0.84 KMT2A (0.60) HTTKMT2AMEN1KDM4ENPSR1
SCHEMBL18063490 0.82 CASP1 (0.50) HTTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5480430 0.82 KMT2A (0.68) HTTCRHBPCRHR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB HTT 22/4885GBA1 349/4885CRHBP 1631/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB HTT 19/4885GBA1 345/4885CRHBP 1701/4885

“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.