SCHEMBL6072599

SCHEMBL6072599

CC(=O)n1c(N)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NOTUM Q6P988 1/20 0.46
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
DAO P14920 2/20 0.41
SLC9A1 P19634 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40

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
SCHEMBL28615203 0.81 L3MBTL1 (0.47) MCL1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL28548039 0.79 POLB (0.52) POLBNOTUMMCL1NPC1RAB9A
SCHEMBL17022579 0.79 POLB (0.52) POLBNOTUMMCL1NPC1RAB9A
SCHEMBL4421581 0.79 RAB9A (0.55) POLBMCL1NPC1RAB9AL3MBTL1
SCHEMBL28615205 0.78 NOD2 (0.51) L3MBTL1KDM4EALDH1A1LMNAGLA
SCHEMBL28033181 0.78 POLB (0.50) POLBNOTUMMCL1NPC1RAB9A
SCHEMBL1697448 0.78 POLB (0.50) POLBNOTUMMCL1NPC1RAB9A
SCHEMBL4554717 0.77 NR1H2 (0.60) NR1H2
SCHEMBL28628548 0.77 ALDH1A1 (0.49) MCL1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL4222282 0.76 MCL1 (0.64) POLBNOTUMMCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114047272-A Method for evaluating quality of pinellia ternate and sparrow lawn pinellia ternate by using alkaloids 合肥师范学院 2022-02-15 CN disclosed
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
US-6159979-A Bicyclic aryl or a bicyclic heterocyclic ring containing compounds having a combined 5HT1A, 5HT1B and 5HT1D receptor antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-12 US disclosed
EP-0975614-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998047885-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-10-29 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 (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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 POLB 2576/4885NOTUM 672/4885MCL1 1662/4885

“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.