SCHEMBL21499352

SCHEMBL21499352

CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCCN3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
TRPV1 Q8NER1 3/20 0.53
MAPK14 Q16539 2/20 0.53
PIR O00625 1/20 0.51
GSK3B P49841 1/20 0.51
HSF1 Q00613 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
DHODH Q02127 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL21468516 0.82 NPC1 (0.68) TRPV1MAPK14MAPTSMN1; SMN2DHODH
SCHEMBL21499301 0.81 DHODH (0.57) PLAUTRPV1MAPK14PIRGSK3B
SCHEMBL6984836 0.81 RAB9A (0.66) PLAUMAPK14PIRGSK3BHSF1
SCHEMBL23090384 0.81 DHODH (0.56) TRPV1MAPK14MAPTSMN1; SMN2DHODH
SCHEMBL21499325 0.81 DHODH (0.56) PLAUTRPV1MAPK14PIRGSK3B
SCHEMBL21499389 0.79 NR1H4 (0.52) PLAUTRPV1MAPTSMN1; SMN2DHODH
SCHEMBL21468548 0.79 MAPT (0.76) TRPV1MAPTSMN1; SMN2DHODHLMNA
SCHEMBL21499390 0.79 SMN1; SMN2 (0.54) PLAUTRPV1MAPK14MAPTSMN1; SMN2
SCHEMBL21499370 0.78 DHODH (0.74) TRPV1MAPTSMN1; SMN2DHODHLMNA
SCHEMBL21499302 0.78 SMN1; SMN2 (0.53) PLAUTRPV1MAPK14MAPTSMN1; SMN2

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 PLAU 4693/4885TRPV1 1967/4885MAPK14 2004/4885

“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.