SCHEMBL16136206

SCHEMBL16136206

Clc1nc(Cl)c2c(n1)CCCCCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
NSD2 O96028 1/20 0.46
ACHE P22303 11/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.41
BCHE P06276 7/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
KDM4E B2RXH2 2/20 0.36
CHRM1 P11229 2/20 0.36
EPHX2 P34913 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35

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
SCHEMBL15831715 1.00 MAPK1 (0.46) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL31095398 1.00 MAPK1 (0.46) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL23816987 1.00 MAPK1 (0.46) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL1819184 0.98 MAPK1 (0.47) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL29466623 0.98 MAPK1 (0.47) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL633261 0.93 ACHE (0.43) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL30777931 0.93 ACHE (0.43) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL13056600 0.78 MAPK1 (0.43) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL24954180 0.78 KDM4E (0.57) MAPK1NSD2ACHEMEN1KMT2A
SCHEMBL11288061 0.78 ACHE (0.50) MAPK1ACHEMEN1KMT2ABPTF

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-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 MAPK1 229/4885NSD2 3003/4885ACHE 1927/4885

“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.