SCHEMBL18623980

SCHEMBL18623980

CC(C)(C)OC(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MMP14 P50281 1/20 0.61
ADORA2A P29274 4/20 0.51
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
CSNK1G1 Q9HCP0 2/20 0.51
MAOA P21397 2/20 0.51
FGR P09769 1/20 0.51
PIM1 P11309 1/20 0.51
DYRK1A Q13627 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51
POLB P06746 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
THRB P10828 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
FGB P02675 1/20 0.48

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
SCHEMBL20192104 0.81 MEN1 (0.42) MEN1KMT2AMMP14MAOATERT
SCHEMBL8777722 0.81 MEN1 (0.69) MEN1KMT2AMMP14ADORA2ACSNK1A1
SCHEMBL3788603 0.81 HSP90AA1 (0.46) MEN1KMT2AMMP14MAOAPOLB
SCHEMBL29159279 0.78 MEN1 (0.64) MEN1KMT2AMMP14ADORA2ACSNK1A1
SCHEMBL6691599 0.78 MAOA (0.44) MEN1KMT2AMMP14MAOAPOLB
SCHEMBL18623984 0.78 MALT1 (0.44) MEN1KMT2APOLBBLMHSP90AA1
SCHEMBL3783723 0.77 BRD9 (0.47) POLBALDH1A1RAB9AHSP90AA1HSP90AB1
SCHEMBL29353000 0.76 HDAC1 (0.52) POLBMAPK1RAB9ARXFP1
SCHEMBL211033 0.76 HDAC1 (0.52) POLBMAPK1RAB9ARXFP1
SCHEMBL6141826 0.76 MEN1 (1.00) MEN1KMT2AMMP14ADORA2ACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980936-B2 BH4 antagonists and methods related thereto EMORY UNIVERSITY (US) 2018-05-29 US disclosed
US-9980936-B2 BH4 antagonists and methods related thereto EMORY UNIVERSITY (US) 2018-05-29 US disclosed
US-20170071896-A1 BH4 Antagonists and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20170071896-A1 BH4 Antagonists and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 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-20170071896-A1 BH4 Antagonists and Methods Related Thereto BHMT, BHMT2, SHMT2 MEN1 2740/4885KMT2A 623/4885MMP14 3541/4885

“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.