SCHEMBL6095028

SCHEMBL6095028

Cn1cnc2ccccc21.O=C(O)c1ccc2[nH]c(CN3CCOCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MLLT1 Q03111 1/20 0.49
PTGER4 P35408 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 4/20 0.42
HTT P42858 1/20 0.40
DRD3 P35462 3/20 0.40
CACNA1G O43497 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6095031 0.93 MLLT1 (0.56) HPGDHSD17B10ALDH1A1L3MBTL1MLLT1
SCHEMBL7704542 0.83 HPGD (0.64) HPGDHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL10957904 0.74 HSD17B10 (0.54) HPGDHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL2026474 0.72 HPGD (1.00) HPGDHSD17B10ALDH1A1L3MBTL1KDM4E
SCHEMBL13833222 0.71 HPGD (0.97) HPGDHSD17B10ALDH1A1L3MBTL1KDM4E
SCHEMBL383213 0.69 DRD4 (0.77) HPGDALDH1A1KDM4EDRD4HTT
SCHEMBL6094092 0.68 HPGD (0.54) HPGDHSD17B10ALDH1A1L3MBTL1MLLT1
SCHEMBL23280193 0.68 IDH1 (0.51) PTGER4TSHRKDM4EMAPTHTT
SCHEMBL521863 0.68 KDM4E (0.79) HPGDHSD17B10ALDH1A1L3MBTL1KDM4E
SCHEMBL6165371 0.68 F2 (0.58) HPGDALDH1A1TSHRKDM4EMAPT

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 HPGD 4400/4885HSD17B10 4029/4885ALDH1A1 1618/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HPGD 4400/4885HSD17B10 4029/4885ALDH1A1 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.