SCHEMBL2537264

SCHEMBL2537264

CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)n3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
CHKA P35790 4/20 0.54
LMNA P02545 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2533301 0.88 LMNA (0.56) CHKALMNACYP1A2CYP3A4MAPT
SCHEMBL2535804 0.87 CHKA (0.59) CHKALMNAMAPTKDM4EMEN1
SCHEMBL2534523 0.86 CHKA (0.68) CHKALMNAMAPTKDM4EMEN1
SCHEMBL2534691 0.82 CHKA (0.60) CHKALMNAMAPTKDM4ERXFP1
SCHEMBL2534643 0.82 CHKA (0.57) CHKACYP1A2CYP3A4MAPTSMN1; SMN2
SCHEMBL2531572 0.82 POLB (0.54) CHKALMNAMAPTSMN1; SMN2RXFP1
SCHEMBL2528843 0.81 KDM4E (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHKA
SCHEMBL2530988 0.80 POLB (0.52) CHKALMNAMAPTSMN1; SMN2PKM
SCHEMBL2532361 0.80 RXFP1 (0.55) CHKALMNAMAPTSMN1; SMN2PKM
SCHEMBL2534636 0.80 CHKA (0.68) CHKALMNAMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US claimed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics CHKA, CHKB, CEPT1 CHRNB2 666/4885CHRNB4 873/4885CHRNA3 1002/4885

“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.