SCHEMBL21499366

SCHEMBL21499366

COc1cc2c(cc1NC(=O)C1CCOCC1)CCCCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
BRPF1 P55201 1/20 0.43
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
DHODH Q02127 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 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
SCHEMBL21468510 0.85 TSHR (0.52) TSHRBRPF1KDM4ERAB9AALDH1A1
SCHEMBL21499368 0.76 ALDH1A1 (0.59) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21499312 0.75 MAPT (0.58) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21499365 0.74 HTT (0.48) TSHRKDM4ERAB9AALDH1A1MAPT
SCHEMBL21499329 0.74 MAPT (0.55) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21499358 0.74 MAPT (0.57) KDM4ERAB9AALDH1A1MAPTUSP2
SCHEMBL21499332 0.74 LMNA (0.58) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21468548 0.73 MAPT (0.76) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21499314 0.73 MAPT (0.56) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21499373 0.73 ALDH1A1 (0.44) TSHRKDM4ERAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 TSHR 3948/4885BRPF1 1517/4885KDM4E 858/4885

“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.