SCHEMBL18509929

SCHEMBL18509929

Cc1c(CCC(=O)O)c2cccc(-c3ccncc3)c2n1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 3/20 0.41
GLA P06280 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
PTK2 Q05397 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
TBXAS1 P24557 1/20 0.37

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
SCHEMBL18509747 0.90 EGFR (0.47) MCL1NPC1RAB9AEGFRGLA
SCHEMBL20120023 0.81 EGFR (0.41) MCL1NPC1RAB9AEGFRGLA
SCHEMBL18029299 0.81 MCL1 (0.39) MCL1HDAC8MAPT
SCHEMBL19872770 0.79 EGFR (0.48) MCL1NPC1RAB9AEGFRHDAC6
SCHEMBL21392209 0.79 EGFR (0.49) NPC1RAB9AEGFRHDAC6GAA
SCHEMBL21392207 0.77 EGFR (0.46) NPC1RAB9AEGFRHDAC6GAA
SCHEMBL18509710 0.77 EGFR (0.46) NPC1RAB9AEGFRHDAC6GAA
SCHEMBL20120013 0.77 EGFR (0.46) MCL1NPC1RAB9AEGFRGAA
SCHEMBL18509698 0.77 EGFR (0.46) MCL1NPC1RAB9AEGFRHDAC6
SCHEMBL21392220 0.77 MCL1 (0.55) MCL1HDAC8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 MCL1 3164/4885NPC1 3751/4885RAB9A 2504/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 MCL1 3164/4885NPC1 3751/4885RAB9A 2504/4885

“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.