SCHEMBL6779457

SCHEMBL6779457

CC(CN(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.56
CTSS P25774 8/20 0.56
CTSL P07711 7/20 0.56
CTSB P07858 6/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL6779459 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL6358961 0.85 ATM (0.58) CTSKCTSSCTSLCTSBATM
SCHEMBL398460 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL1547277 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL4033719 0.83 NPC1 (0.65) CTSKCTSSCTSLCTSBATM
SCHEMBL6407665 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL5268187 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL13572927 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL13534727 0.83 NPC1 (0.65) CTSKCTSSCTSLCTSBATM
SCHEMBL14999596 0.83 ATM (0.59) CTSKCTSSCTSLCTSBATM

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-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 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 (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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A CTSK 1509/4885CTSS 2004/4885CTSL 1461/4885

“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.