SCHEMBL6019838

SCHEMBL6019838

N#CCCNC(=S)Nc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.55
ALOX12 P18054 3/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
QPCT Q16769 1/20 0.52
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACHE P22303 1/20 0.49
NPC1 O15118 2/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL1275812 0.78 KMT2A (0.72) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6922632 0.77 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL7250746 0.77 CA12 (0.61) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7748139 0.77 KMT2A (0.61) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL29222429 0.76 LMNA (0.65) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL10666009 0.76 LMNA (0.65) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL20537061 0.76 KDM4E (0.72) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL10966808 0.76 CYP1A2 (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL21972581 0.74 ALDH1A1 (0.64) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL3065751 0.74 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1ALOX12

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-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO 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 1324/4885MEN1 4215/4885KDM4E 970/4885

“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.