SCHEMBL4114722

SCHEMBL4114722

CC(C)(C)C(=O)/C(=N/Nc1ccc(Br)cc1)Nc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IDO1 P14902 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
IL18 Q14116 1/20 0.42
ABCC9 O60706 3/20 0.41
KCNJ11 Q14654 3/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL4114725 1.00 HTT (0.47) HTTSMN1; SMN2IDO1HDAC1HDAC7
SCHEMBL4120752 1.00 HTT (0.47) HTTSMN1; SMN2IDO1HDAC1HDAC7
SCHEMBL4120754 1.00 HTT (0.47) HTTSMN1; SMN2IDO1HDAC1HDAC7
SCHEMBL4102761 0.94 HTT (0.52) HTTSMN1; SMN2IDO1HDAC1HDAC7
SCHEMBL4102762 0.94 HTT (0.52) HTTSMN1; SMN2IDO1HDAC1HDAC7
SCHEMBL4112937 0.89 KMT2A (0.49) HTTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4112935 0.89 KMT2A (0.49) HTTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4109095 0.88 HTT (0.47) HTTSMN1; SMN2HDAC1HDAC7HDAC8
SCHEMBL4104738 0.88 SMN1; SMN2 (0.47) HTTSMN1; SMN2HDAC1HDAC7HDAC8
SCHEMBL4114980 0.88 HTT (0.56) HTTSMN1; SMN2HDAC1HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 HTT 4148/4885SMN1; SMN2 2497/4885IDO1 2695/4885

“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.