SCHEMBL6041535

SCHEMBL6041535

CSc1ncc(Br)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8339116 0.83 GABRP (0.35) HTTKMT2A
SCHEMBL16394692 0.75 HTT (0.41) HTTKMT2APTGDR2HSD17B10SMN1; SMN2
SCHEMBL25623946 0.74 HTT (0.35) HTTKMT2APTGDR2HSD17B10SMN1; SMN2
SCHEMBL15053158 0.74 S1PR1 (0.37) HTTKMT2AHSD17B10SMN1; SMN2
SCHEMBL7843693 0.72 PLAU (0.42) HTTKMT2AHSD17B10SMN1; SMN2
SCHEMBL15052654 0.72 HTT (0.34) HTTKMT2AHSD17B10SMN1; SMN2
SCHEMBL31143948 0.72 CTSD (0.38) HTTKMT2APTGDR2HSD17B10SMN1; SMN2
SCHEMBL15052497 0.69 RAB9A (0.38) HTTKMT2ASMN1; SMN2
SCHEMBL17591656 0.68 KDM4E (0.41) KMT2A
SCHEMBL16132375 0.67 SSTR4 (0.32) HTTKMT2APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HTT 155/4885KMT2A 2702/4885PTGDR2 1634/4885

“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.