SCHEMBL6286671

SCHEMBL6286671

CC(C)c1cnc(N2CCN(O)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 2/20 0.37
ALDH1A1 P00352 2/20 0.36
FDPS P14324 1/20 0.36
CHRNA7 P36544 2/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 2/20 0.35

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
SCHEMBL18878408 0.85 TDP1 (0.57) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17483654 0.84 ALDH1A1 (0.46) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15341960 0.83 HRH3 (0.44) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18878402 0.83 ALDH1A1 (0.53) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12986356 0.80 PRKDC (0.48) TDP1RAB9AOGAMAPT
SCHEMBL7086450 0.76 NPC1 (0.52) ALDH1A1RAB9AMLYCDMAPTMEN1
SCHEMBL22657462 0.70 CHRNA7 (0.36) TDP1CCNE1CDK2CDK5ALDH1A1
SCHEMBL20621389 0.70 TDP1 (0.51) TDP1OGA
SCHEMBL16088997 0.68 SMN1; SMN2 (0.43) ALDH1A1RAB9AOGAMAPTKMT2A
SCHEMBL13032707 0.66 SMN1; SMN2 (0.44) TDP1ALDH1A1RAB9AOGAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6863647-B2 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2005-03-08 US disclosed
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US disclosed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 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 (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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 TDP1 3760/4885HDAC3 596/4885HDAC4 841/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 TDP1 3760/4885HDAC3 596/4885HDAC4 841/4885

“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.