SCHEMBL21499349

SCHEMBL21499349

COc1c(NC(=O)c2cnc(C(C)(C)C)s2)cc2c(c1F)NCCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BTK Q06187 2/20 0.34
▸ MAPK14 Q16539 2/20 0.33

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
SCHEMBL21468501 0.85 DHODH (0.39) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21499348 0.79 MAPT (0.59) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21468460 0.77 DHODH (0.59) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21499351 0.72 PDE7A (0.47) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21468476 0.67 RAB9A (0.52) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21499381 0.64 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21468481 0.63 DHODH (0.57) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL12868672 0.63 HPGD (0.41) SMN1; SMN2ALDH1A1RAB9AHPGDLMNA
SCHEMBL21468486 0.63 DHODH (0.65) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1
SCHEMBL21499392 0.62 MAPT (0.53) SMN1; SMN2ALDH1A1RAB9AHPGDMEN1

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 SMN1; SMN2 804/4885ALDH1A1 187/4885RAB9A 1314/4885

“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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