SCHEMBL6020338

SCHEMBL6020338

N#CCCNC(=S)Nc1ccc(F)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
ALOX12 P18054 2/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
EPHX2 P34913 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP3A4 P08684 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
PSMD14 O00487 1/20 0.38

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
SCHEMBL10712606 0.77 ALDH1A1 (0.63) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL10787020 0.76 KMT2A (0.66) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL6020843 0.76 NPC1 (0.42) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL28130105 0.71 LMNA (0.55) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL6019838 0.70 KMT2A (0.58) KMT2AALDH1A1MEN1ALOX12LMNA
SCHEMBL6021230 0.68 CYP1A2 (0.64) KMT2AALDH1A1MEN1CYP1A2CYP2C9
Alcohol SCHEMBL28251588 0.68 KMT2A (0.55) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL6020757 0.68 LMNA (0.64) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL6020342 0.68 ALDH1A1 (0.40) KMT2AALDH1A1MEN1ALOX12HPGD
SCHEMBL20560664 0.67 EPHX2 (0.51) KMT2AALDH1A1MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 KMT2A 1324/4885ALDH1A1 662/4885MEN1 4215/4885

“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.