SCHEMBL5525065

SCHEMBL5525065

CC(C)(C)CC(C)(C)NC(N)=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
EPHX1 P07099 2/20 0.36
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 2/20 0.30
PTGS2 P35354 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 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
SCHEMBL28355393 0.81 POLB (0.40) POLBHTTEPHX1ALDH1A1MEN1
SCHEMBL11729650 0.79 POLB (0.40) POLBHTTEPHX1ALDH1A1MEN1
SCHEMBL6562571 0.77
SCHEMBL15679321 0.77 POLB (0.40) POLBHTTEPHX1ALDH1A1MEN1
SCHEMBL1484742 0.77
SCHEMBL10488605 0.76 POLB (0.44) POLBHTTEPHX1ALDH1A1MEN1
SCHEMBL3926071 0.75 POLB (0.47) POLBHTTEPHX1ALDH1A1MEN1
SCHEMBL28355392 0.75 POLB (0.39) POLBHTTEPHX1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL4028674 0.75 EPHX1 (0.34) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16126013 0.75 POLB (0.38) POLBHTTEPHX1

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-0068590-B1 NOVEL UREA DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-01-02 EP 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 POLB 4518/4885HTT 583/4885EPHX1 1944/4885

“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.