SCHEMBL16998637

SCHEMBL16998637

CC(F)(F)c1cc(O)nc(SCc2ccncc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 4/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SLC22A12 Q96S37 1/20 0.31
DDR1 Q08345 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL844241 0.91 KMT2A (0.38) MGAMGAASIMGAM2L3MBTL1
SCHEMBL16743435 0.83 MEN1 (0.35) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL845093 0.82 HPGD (0.43) MGAMGAASIMGAM2L3MBTL1
Hydrochloric Acid SCHEMBL845119 0.81 HPGD (0.42) MGAMGAASIMGAM2L3MBTL1
SCHEMBL13058913 0.80 MEN1 (0.33) KMT2AMEN1
SCHEMBL16743439 0.80 MEN1 (0.32) KMT2AMEN1RAB9AHPGDLMNA
SCHEMBL16998613 0.79 MEN1 (0.35) L3MBTL1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL844543 0.78 ALDH1A1 (0.39) GAAL3MBTL1MAPTKMT2AMEN1
SCHEMBL16743445 0.76 MAPT (0.37) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL16998710 0.75 MEN1 (0.46) L3MBTL1MAPTKMT2AMEN1ALDH1A1

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-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP MGAM 4700/4885GAA 1107/4885SI 1041/4885

“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.