SCHEMBL13616180

SCHEMBL13616180

O=C1N=C(S)S/C1=C\c1cc(F)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
AMY1A P0DUB6 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL13616175 0.89 CHEK1 (0.44) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL4349225 0.81 KMT2A (0.51) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL3400663 0.81 KMT2A (0.51) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL3400659 0.81 KMT2A (0.51) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL13630089 0.80 POLB (0.52) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL13630097 0.80 KMT2A (0.40) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL13629840 0.77 CHEK1 (0.40) KMT2AMEN1XDHALDH1A1MAPT
SCHEMBL13630087 0.77 NPC1 (0.62) KMT2AMEN1ALDH1A1MAPTAMY1A
SCHEMBL3426768 0.77 NPC1 (0.62) KMT2AMEN1ALDH1A1MAPTAMY1A
SCHEMBL13616304 0.77 NPC1 (0.59) KMT2AMEN1ALDH1A1MAPTAMY1A

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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR KMT2A 1752/4885MEN1 4697/4885XDH 772/4885

“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.