SCHEMBL5858836

SCHEMBL5858836

OC(Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GRM2 Q14416 2/20 0.49
SLC9A1 P19634 1/20 0.49
APAF1 O14727 1/20 0.45
POLB P06746 1/20 0.45
KCNMA1 Q12791 1/20 0.45
PTK2 Q05397 1/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 4/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
DOT1L Q8TEK3 1/20 0.42

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
SCHEMBL5858830 0.79 GRM2 (0.69) ALDH1A1GRM2SLC9A1POLBPTK2
SCHEMBL5858809 0.76 GAA (0.67) ALDH1A1TP53RAB9ANPSR1NPC1
SCHEMBL5859932 0.76 SLC9A1 (0.51) ALDH1A1GRM2SLC9A1KCNMA1PTK2
SCHEMBL3824141 0.75 ALDH1A1 (0.54) ALDH1A1POLBHSD17B10HPGDLMNA
SCHEMBL5859138 0.75 TSHR (0.65) ALDH1A1GRM2SLC9A1APAF1POLB
SCHEMBL5861856 0.74 ALDH1A1 (0.53) ALDH1A1GRM2SLC9A1KCNMA1PTK2
SCHEMBL5861811 0.73 SLC9A1 (0.65) SLC9A1POLBHPGDMAPTTSHR
SCHEMBL5858769 0.73 KCNMA1 (0.48) ALDH1A1GRM2SLC9A1POLBKCNMA1
SCHEMBL5859675 0.73 TSHR (0.52) ALDH1A1GRM2SLC9A1APAF1POLB
SCHEMBL5858856 0.73 TSHR (0.55) ALDH1A1GRM2SLC9A1APAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030140-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-6908936-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20050038085-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2005-02-17 US disclosed
US-20030139450-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2003-07-24 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-20050038085-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L ALDH1A1 1674/4885GRM2 4631/4885SLC9A1 3922/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L ALDH1A1 1674/4885GRM2 4631/4885SLC9A1 3922/4885

“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.