SCHEMBL6500982

SCHEMBL6500982

CC(C)(C)C(=O)OCCCCn1c(CO)nc2cc(CN)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 4/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6493464 0.84 GRM2 (0.42) SMN1; SMN2HDAC1HDAC8MAPTTP53
SCHEMBL6493461 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HDAC1HDAC8JAK2JAK1
SCHEMBL6242299 0.79 POLB (0.44) SMN1; SMN2HDAC1HDAC8JAK2JAK1
SCHEMBL6504658 0.78 MEN1 (0.36) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL31069471 0.76 POLB (0.46) HDAC1HDAC8JAK2JAK1TYK2
SCHEMBL3729186 0.76 POLB (0.41) SMN1; SMN2HDAC1HDAC8JAK2JAK1
SCHEMBL9977937 0.76 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTTP53NPC1
SCHEMBL2868995 0.76 STING1 (0.41) SMN1; SMN2HDAC1HDAC8MAPTTP53
SCHEMBL3733588 0.73 CNR2 (0.51) MAPK1
SCHEMBL6217861 0.73 MAPT (0.36) SMN1; SMN2JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 SMN1; SMN2 492/4885HDAC1 807/4885HDAC8 434/4885

“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.