SCHEMBL12350704

SCHEMBL12350704

CC1(C)OB(c2cccc(NC(=O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.58
KCNK9 Q9NPC2 7/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TP53 P04637 1/20 0.54
SIRT1 Q96EB6 1/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 3/20 0.51
HPGD P15428 1/20 0.51
NLRP3 Q96P20 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL14568092 0.92 HDAC1 (0.52) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL11987744 0.90 CA1 (0.52) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL18343191 0.88 KCNK3 (0.57) KCNK3KCNK9KMT2AMEN1RAB9A
SCHEMBL104107 0.87 KCNK9 (0.60) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL1329990 0.87 KMT2A (0.58) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL31224630 0.86 RAB9A (0.50) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL24628621 0.86 MEN1 (0.50) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL18343409 0.86 KCNK3 (0.61) KCNK3KMT2AMEN1TP53RAB9A
SCHEMBL5675377 0.86 PDGFRB (0.58) KMT2AMEN1TP53SIRT1RAB9A
SCHEMBL7139795 0.86 CA1 (0.48) KCNK3KCNK9KMT2AMEN1POLB

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
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KCNK3 835/4885KCNK9 2067/4885KMT2A 1204/4885

“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.