SCHEMBL21499335

SCHEMBL21499335

COc1cc2c(cc1NC(=O)c1cc(Cl)cc(I)c1)CCCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
DHODH Q02127 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TACR1 P25103 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL21499358 0.87 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499330 0.87 DHODH (0.61) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499368 0.83 ALDH1A1 (0.59) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499312 0.82 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499332 0.81 LMNA (0.58) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499356 0.80 MAPT (0.54) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499314 0.80 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21468548 0.80 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499327 0.80 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499329 0.79 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2DHODH

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 MAPT 760/4885LMNA 3559/4885ALDH1A1 187/4885

“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.