SCHEMBL12787948

SCHEMBL12787948

CC(C)Cc1nnc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PSMD14 O00487 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL12966649 0.74 ALDH1A1 (0.47) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL13171540 0.74 ALDH1A1 (0.47) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL7603717 0.73 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL11767696 0.73 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL11767701 0.73 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL10130895 0.73 HPGD (0.53) ALDH1A1POLBHPGD
SCHEMBL25025338 0.70 ALDH1A1 (0.61) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL11693772 0.70 ALDH1A1 (0.43) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL22905257 0.70 ALDH1A1 (0.43) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL282156 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 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 (2 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-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 ALDH1A1 72/4885POLB 1983/4885KMT2A 470/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO ALDH1A1 580/4885POLB 1570/4885KMT2A 1718/4885

“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.