SCHEMBL6020974

SCHEMBL6020974

CCN(C#N)C(=O)C(Cc1csc2ccccc12)NC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
MAPK1 P28482 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GSK3B P49841 1/20 0.41
RAB9A P51151 10/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 8/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6021175 0.86 CTSL (0.48) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6020228 0.85 CTSL (0.42) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6019780 0.85 CTSL (0.45) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6020533 0.85 GSK3B (0.52) SMN1; SMN2GSK3BRAB9AMEN1KMT2A
SCHEMBL6020850 0.84 CTSL (0.58) SMN1; SMN2MAPK1CTSLCTSSCTSK
SCHEMBL6019395 0.84 MAPK1 (0.63) SMN1; SMN2MAPK1RAB9AMEN1KMT2A
SCHEMBL6019585 0.83 TACR1 (0.48) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6020979 0.83 CTSL (0.47) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6020987 0.82 MEN1 (0.43) MAPK1CTSLCTSSCTSKRAB9A
SCHEMBL6019279 0.82 KDM4E (0.52) SMN1; SMN2GSK3BRAB9AMEN1KMT2A

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 9 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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors 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 SMN1; SMN2 3901/4885MAPK1 4315/4885CTSL 2274/4885

“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.