SCHEMBL3318208

SCHEMBL3318208

CCC(CC)C(O)c1ncnn1Cc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3318983 0.88 HTT (0.39) HTTMEN1KMT2APKMNPSR1
SCHEMBL3318864 0.87 SMN1; SMN2 (0.44) MEN1KMT2APKMNPSR1NPC1
SCHEMBL5732287 0.86 HTT (0.50) HTTMEN1KMT2APKMNPSR1
SCHEMBL3318705 0.86 HTT (0.50) HTTMEN1KMT2APKMNPSR1
SCHEMBL3316671 0.85 NPBWR1 (0.40) LMNASMN1; SMN2ALDH1A1CYP2C19CYP2D6
SCHEMBL3320689 0.82 HTT (0.52) HTTMEN1KMT2APKMNPSR1
SCHEMBL5731641 0.82 HTT (0.52) HTTMEN1KMT2APKMNPSR1
SCHEMBL3323347 0.72 SMN1; SMN2 (0.47) HTTMEN1KMT2APKMNPSR1
SCHEMBL5731482 0.72 SMN1; SMN2 (0.47) HTTMEN1KMT2APKMNPSR1
SCHEMBL5731644 0.72 HTT (0.42) HTTMEN1KMT2APKMNPSR1

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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (3 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 HTT 11/4885MEN1 1545/4885KMT2A 3832/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 HTT 11/4885MEN1 1545/4885KMT2A 3832/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 HTT 10/4885MEN1 1374/4885KMT2A 4233/4885

“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.