SCHEMBL2899660

SCHEMBL2899660

CCc1nc2c(CC)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.55
CHEK1 O14757 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
HTR6 P50406 1/20 0.39
DAO P14920 1/20 0.39
DDO Q99489 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 2/20 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
SCHEMBL3968950 0.91 DDAH1 (0.50) DDAH1CHEK1ADORA3ADORA2AADORA1
SCHEMBL6582523 0.88 DDAH1 (0.42) DDAH1CHEK1ALDH1A1HTTHTR6
SCHEMBL6681270 0.88 CHEK1 (0.45) DDAH1CHEK1ALDH1A1HTR6DAO
SCHEMBL8169941 0.84 POLB (0.46)
SCHEMBL5788740 0.81 PARP1 (0.54) DDAH1CHEK1ALDH1A1DAODDO
SCHEMBL4919548 0.81 DDAH1 (0.55) DDAH1ALDH1A1GAATDP1
SCHEMBL30518181 0.81 DDAH1 (0.55) DDAH1ALDH1A1GAATDP1
SCHEMBL8973980 0.80 NPC1 (0.47) HTR6DAO
SCHEMBL10072578 0.80 GRIN1 (0.54) DDAH1CHEK1ADORA3ADORA2AADORA1
SCHEMBL1918622 0.80 DDAH1 (0.53) DDAH1CHEK1ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286406-A1 1,3- DIALKYLBENZIMIDAZOLE HALOGENIDES EXHIBITING REGENERATIVE, ANTI-INFLAMMATORY, AND ANTIMICROBIAL ACTIVITY STRADOMSKIY, BORIS VITALYEVICH (RU) 2010-11-11 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 (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-20100286406-A1 1,3- DIALKYLBENZIMIDAZOLE HALOGENIDES EXHIBITING REGENERATIVE, ANTI-INFLAMMATORY, AND ANTIMICROBIAL ACTIVITY ALK, CFTR, FGFR1 DDAH1 801/4885CHEK1 3396/4885ADORA3 875/4885

“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.