SCHEMBL12285331

SCHEMBL12285331

COc1ccc(NC(=O)c2ccccc2)c(C(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPK1 P28482 1/20 0.62
NLRP3 Q96P20 1/20 0.61
F10 P00742 3/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NR1H4 Q96RI1 1/20 0.60
KCNK9 Q9NPC2 2/20 0.59
KCNK3 O14649 1/20 0.58
PGR P06401 1/20 0.58
KCNK2 O95069 1/20 0.56

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
SCHEMBL15233664 0.91 F10 (0.72) MAPTNPC1RAB9ASMN1; SMN2F10
SCHEMBL15233666 0.89 MEN1 (0.63) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4481689 0.83 ALDH1A1 (0.57) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL314038 0.82 F10 (0.77) NPC1RAB9ASMN1; SMN2F10MEN1
SCHEMBL8820811 0.82 SMN1; SMN2 (0.76) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL11826733 0.82 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29175052 0.82 NPC1 (0.65) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1026559 0.82 ALDH1A1 (0.59) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL23352868 0.81 RAB9A (0.70) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL2935687 0.81 MEN1 (0.69) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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
US-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-04-25 US disclosed
WO-2011127406-A2 ACRIDINES AS INHIBITORS OF HASPIN AND DYRK KINASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-10-13 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-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases HASPIN, MAP3K6, DAPK2 MAPT 825/4885NPC1 2875/4885RAB9A 1554/4885

“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.