SCHEMBL21468490

SCHEMBL21468490

COc1cc2c(cc1NC(=O)c1ncc(F)cc1F)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.54
▸ DHODH Q02127 3/20 0.53
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ GPR6 P46095 1/20 0.41

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
SCHEMBL21499334 0.80 LMNA (0.65) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468502 0.77 DHODH (0.76) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468474 0.75 ALDH1A1 (0.57) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468449 0.74 DHODH (0.69) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468481 0.74 DHODH (0.57) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468513 0.74 DHODH (0.69) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468511 0.72 DHODH (0.75) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2785659 0.72 LMNA (0.60) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21468452 0.71 DHODH (0.54) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21499320 0.71 DHODH (0.77) LMNARAB9ASMN1; SMN2MEN1KMT2A

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-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — US disclosed
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 LMNA 3559/4885RAB9A 1314/4885SMN1; SMN2 804/4885

“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.

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