SCHEMBL2533826

SCHEMBL2533826

CCOc1ccc(-c2nnc(SCC(=O)Nc3ncc(C)s3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 8/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ PKM P14618 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ANO1 Q5XXA6 1/20 0.49
▸ POLB P06746 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
SCHEMBL2406636 0.91 TSHR (0.58) L3MBTL1MAPTKMT2AHTTPKM
SCHEMBL2404954 0.89 KMT2A (0.65) L3MBTL1MAPTKMT2AHTTPKM
SCHEMBL2403626 0.88 HTT (0.53) L3MBTL1MAPTKMT2AHTTPKM
SCHEMBL2527359 0.81 MAPT (0.62) MAPTKMT2AHTTHPGDNPC1
SCHEMBL2534523 0.81 CHKA (0.68) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2533301 0.81 LMNA (0.56) MAPTKMT2APKMSMN1; SMN2MEN1
SCHEMBL2535804 0.80 CHKA (0.59) L3MBTL1MAPTKMT2AHPGDMEN1
SCHEMBL2531303 0.80 CHKA (0.54) MAPTALDH1A1LMNAPOLBTP53
SCHEMBL2534691 0.79 CHKA (0.60) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2531572 0.79 POLB (0.54) MAPTKMT2ASMN1; SMN2MEN1GAA

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-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 L3MBTL1 3241/4885MAPT 1448/4885KMT2A 633/4885

“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.

Send feedback