SCHEMBL632881

SCHEMBL632881

CCC(COC)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
TACR1 P25103 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2495982 0.83 TDP1 (0.54) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL1185277 0.83 TDP1 (0.42) MAPTTDP1TACR1ALDH1A1CYP3A4
SCHEMBL4953753 0.81 TDP1 (0.39) MAPTTDP1NAMPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL17710412 0.81 TDP1 (0.52) TDP1ALDH1A1CYP3A4ALOX15TSHR
Methane SCHEMBL28523284 0.81 TDP1 (0.52) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL4949145 0.80 TDP1 (0.38) MAPTTDP1NAMPTALDH1A1CYP3A4
SCHEMBL23008405 0.80 MAPT (0.41) MAPTALDH1A1
SCHEMBL4541566 0.78 HDAC4 (0.53) ALDH1A1L3MBTL1NPSR1
SCHEMBL2492249 0.77 TDP1 (0.39) MAPTTDP1TACR1ALDH1A1CYP3A4
SCHEMBL13626620 0.77 TAS1R3 (0.41) MAPTALDH1A1LMNATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MAPT 36/4885TDP1 1506/4885TACR1 1530/4885

“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.