SCHEMBL9978055

SCHEMBL9978055

CC(C)(C)C(=O)OCCCCn1c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
BRD4 O60885 1/20 0.36
ELANE P08246 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
GBA1 P04062 2/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
TK2 O00142 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TK1 P04183 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL9978077 0.86 MAPT (0.38) MAPTSMN1; SMN2TP53POLBBRD4
SCHEMBL9977937 0.68 SMN1; SMN2 (0.40) MAPTSMN1; SMN2TP53POLBBRD4
SCHEMBL6492612 0.64 HDAC1 (0.47) MAPTSMN1; SMN2TP53POLBHTT
SCHEMBL21390773 0.61 MEN1 (0.35) TP53POLBNPSR1MEN1KMT2A
SCHEMBL21878014 0.61 TP53 (0.39) MAPTSMN1; SMN2TP53BRD4RAB9A
SCHEMBL21878012 0.61 CYP1A2 (0.42) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL31599667 0.61 FGFR1 (0.41) SMN1; SMN2TP53POLBNPSR1GAA
SCHEMBL21877979 0.60 TP53 (0.39) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL6500982 0.60 SMN1; SMN2 (0.43) MAPTSMN1; SMN2TP53POLBRAB9A
SCHEMBL16795881 0.60 CHRM2 (0.44) POLBNPSR1GAARAB9AMEN1

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
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPT 4724/4885SMN1; SMN2 182/4885TP53 1918/4885

“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.