SCHEMBL5859110

SCHEMBL5859110

Cc1cc2nc(Cn3nnc4ccccc43)n(CCN(C)C)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SLC9A1 P19634 6/20 0.42
GRM2 Q14416 1/20 0.42
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTK2 Q05397 1/20 0.39
TOP2A P11388 1/20 0.39

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
SCHEMBL5858794 0.91 POLB (0.43) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL5858823 0.88 POLB (0.48) SLC9A1GRM2GAAALDH1A1KMT2A
SCHEMBL5859676 0.88 SLC9A1 (0.46) RAB9ANPC1SLC9A1GRM2GAA
Hydrochloric Acid SCHEMBL5859906 0.87 POLB (0.47) SLC9A1GRM2GAAALDH1A1KMT2A
Trimethylammonium SCHEMBL5861905 0.75 SLC9A1 (0.47) RAB9ANPC1SLC9A1GRM2GAA
Hydrochloric Acid SCHEMBL5858758 0.75 TSHR (0.44) SLC9A1GRM2GAAALDH1A1KMT2A
SCHEMBL5861811 0.72 SLC9A1 (0.65) SLC9A1GAASMN1; SMN2KMT2APOLB
SCHEMBL7745480 0.72 TOP2A (0.47) GAAALDH1A1KMT2APOLBLMNA
SCHEMBL5859932 0.72 SLC9A1 (0.51) RAB9ANPC1SLC9A1GRM2GAA
SCHEMBL5858757 0.72 SLC9A1 (0.48) SLC9A1GRM2GAAALDH1A1KMT2A

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 RAB9A 2919/4885NPC1 1196/4885SLC9A1 3922/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L RAB9A 2919/4885NPC1 1196/4885SLC9A1 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.