SCHEMBL6493464

SCHEMBL6493464

CC(C)(C)OC(=O)NCc1ccc2c(c1)nc(CO)n2CCCCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
MAPT P10636 1/20 0.40
GNRHR P30968 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STING1 Q86WV6 6/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL2868995 0.92 STING1 (0.41) GRM2MAPTGNRHRSMN1; SMN2STING1
SCHEMBL6245220 0.87 GRM2 (0.47) GRM2GNRHRSMN1; SMN2STING1HDAC1
SCHEMBL31069435 0.85 GRM2 (0.47) GRM2GNRHRSMN1; SMN2HDAC1HDAC8
SCHEMBL3734568 0.84 GRM2 (0.46) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL6500982 0.84 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HDAC1HDAC8TP53
SCHEMBL6242216 0.84 GNRHR (0.43) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL6222254 0.82 TP53 (0.38) GRM2MAPTGNRHRSMN1; SMN2STING1
SCHEMBL6216586 0.82 CYP2D6 (0.39) GRM2MAPTGNRHRSMN1; SMN2STING1
SCHEMBL6218923 0.82 CNR2 (0.49) GRM2HDAC1HDAC8
SCHEMBL6217706 0.81 GNRHR (0.39) GRM2MAPTGNRHRSMN1; SMN2STING1

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 GRM2 2811/4885MAPT 4825/4885GNRHR 4664/4885

“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.