SCHEMBL16786363

SCHEMBL16786363

Cc1ccc(NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.56
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1276739 0.84 KMT2A (0.79) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL2237865 0.83 GAA (0.69) KMT2ACYP3A4MEN1LMNAGAA
SCHEMBL16786364 0.78 CA12 (0.61) KMT2AMEN1HTTLMNAGAA
SCHEMBL15392059 0.77 LMNA (0.44) KMT2ACYP3A4MEN1HTTLMNA
SCHEMBL1310574 0.76 GAA (0.78) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5451731 0.76 ALDH1A1 (0.74) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL14725325 0.76 CA1 (0.50) KMT2AMEN1LMNAGAAL3MBTL1
SCHEMBL11410456 0.75 CYP1A2 (0.59) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL11074089 0.75 HTT (0.66) KMT2ACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1747930 0.75 KMT2A (0.66) KMT2ACYP1A2CYP3A4CYP2C19MEN1

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-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2015-06-11 US disclosed
US-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2015-06-11 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-20150160242-A1 POLYMER MATRIX WITH TARGET BINDING SITE FOR CREATININE AND DERIVATIVES THEREOF, ITS PREPARATION AND USES REN, AGER, SHBG KMT2A 3943/4885CYP1A2 3996/4885CYP3A4 2574/4885

“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.