SCHEMBL6095031

SCHEMBL6095031

Cn1cnc2ccccc21.O=C(O)c1ccc2nc(CN3CCOCC3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 5/20 0.56
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.44
APEX1 P27695 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TOP2A P11388 1/20 0.42
DRD4 P21917 2/20 0.42
PIK3CA P42336 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6095028 0.93 HPGD (0.53) MLLT1HPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL7704542 0.78 HPGD (0.64) HPGDALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL2026474 0.72 HPGD (1.00) HPGDALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL13833222 0.71 HPGD (0.97) HPGDALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL24233571 0.70 KDM5A (0.53) ALDH1A1KDM4EMAPTHDAC1HDAC2
SCHEMBL383213 0.69 DRD4 (0.77) HPGDALDH1A1KDM4EDRD4HTT
SCHEMBL3346614 0.69 MAPT (0.55) MLLT1HPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL6095383 0.68 HPGD (0.54) MLLT1HPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL1539980 0.68 MAPT (0.97) HPGDALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL6165378 0.68 F2 (0.69) HPGDALDH1A1KDM4EMAPTNPSR1

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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 MLLT1 1963/4885HPGD 4400/4885ALDH1A1 1618/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 MLLT1 1963/4885HPGD 4400/4885ALDH1A1 1618/4885

“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.