SCHEMBL3316613

SCHEMBL3316613

CCC(CC)C(O)c1nccn1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.56
FDPS P14324 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL3316584 0.84 CYP1A2 (0.61) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL3318156 0.83 LMNA (0.52) LMNATDP1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28192676 0.81 TDP1 (0.61) LMNATDP1CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL29037976 0.81 TDP1 (0.61) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL9341301 0.79 TDP1 (0.58) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL9628706 0.78 LMNA (0.56) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL27678476 0.78 LMNA (0.47) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL29157567 0.76 LMNA (0.54) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL11291674 0.75 TDP1 (0.55) LMNATDP1CYP1A2CYP2D6CYP2C19
SCHEMBL11295490 0.75 TDP1 (0.62) LMNATDP1CYP1A2CYP2D6CYP2C19

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 8 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
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO 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 LMNA 2937/4885TDP1 3337/4885CYP1A2 1458/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 LMNA 2937/4885TDP1 3337/4885CYP1A2 1458/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 LMNA 2624/4885TDP1 3667/4885CYP1A2 940/4885

“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.