SCHEMBL3754299

SCHEMBL3754299

OCCNC(=S)NC1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.56
MTNR1B P49286 4/20 0.56
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
GRIN2B Q13224 4/20 0.47
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3748926 0.80 MTNR1A (0.61) MTNR1AMTNR1BKMT2AGRIN2BLMNA
SCHEMBL29433088 0.79 MTNR1A (0.62) MTNR1AMTNR1BKMT2AMAOAMAOB
SCHEMBL28684223 0.79 MTNR1A (0.62) MTNR1AMTNR1BKMT2AMAOAMAOB
SCHEMBL4700260 0.77 ALDH1A1 (0.62) KMT2AMAOAMAOBMEN1MAPT
SCHEMBL3219943 0.77 ALDH1A1 (0.62) KMT2AMAOAMAOBMEN1MAPT
SCHEMBL3751372 0.74 MTNR1A (0.49) MTNR1AMTNR1BKMT2AMAOAMAOB
SCHEMBL3210483 0.73 ALDH1A1 (0.72) KMT2AMEN1HTT
SCHEMBL173810 0.72 IDO1 (0.56) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL5878752 0.72 KMT2A (0.53) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL53322 0.72 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests BASF SE (DE) 2010-11-25 US disclosed
EP-2120576-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008145615-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-12-04 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-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests AADAT, INMT, SLC14A1 MTNR1A 3214/4885MTNR1B 2479/4885KMT2A 2055/4885

“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.