SCHEMBL6280074

SCHEMBL6280074

CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCN)cccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PLK1 P53350 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL6491476 0.94 TSHR (0.37) TSHRMAPK1ALDH1A1NPC1NPSR1
SCHEMBL6248942 0.92 TSHR (0.40) TSHRMAPK1ALDH1A1NPSR1USP2
SCHEMBL6245681 0.88 ALDH1A1 (0.40) TSHRMAPK1ALDH1A1NPC1NPSR1
SCHEMBL6247306 0.88 TSHR (0.40) TSHRMAPK1ALDH1A1NPSR1USP2
SCHEMBL6245980 0.88 TSHR (0.36) TSHRMAPK1ALDH1A1NPSR1USP2
SCHEMBL6247065 0.87 TSHR (0.39) TSHRMAPK1ALDH1A1NPC1NPSR1
SCHEMBL6242765 0.85 TSHR (0.38) TSHRMAPK1ALDH1A1NPC1NPSR1
SCHEMBL6278010 0.83 TSHR (0.44) TSHRMAPK1CNR1CNR2
SCHEMBL6242728 0.82 TSHR (0.40) TSHRMAPK1ALDH1A1NPSR1USP2
SCHEMBL6244926 0.81 SLC22A12 (0.41) TSHRMAPK1ALDH1A1NPSR1USP2

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 5 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
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 TSHR 3860/4885MAPK1 4347/4885ALDH1A1 3132/4885

“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.