SCHEMBL16586010

SCHEMBL16586010

CCOC(=O)CN(C)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NLRP3 Q96P20 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL29852351 0.83 CA12 (0.37) ALDH1A1KDM4EMAPTCYP1A2LMNA
SCHEMBL29852374 0.82 KDM4E (0.41) ALDH1A1KDM4EPKMMAPTCYP1A2
SCHEMBL16586215 0.80 NAPRT (0.44) DGAT1ALDH1A1POLBPKMMAPT
SCHEMBL28703573 0.77 RAB9A (0.45) RAB9AALDH1A1KDM4EHTTPOLB
SCHEMBL2949925 0.77 ALDH1A1 (0.45) RAB9AALDH1A1HPGDHTTMAPT
SCHEMBL5429015 0.75 KMT2A (0.43) ALDH1A1HPGDPOLBKMT2AL3MBTL1
SCHEMBL3168456 0.75 MAPT (0.49) RAB9AALDH1A1HPGDHTTMAPT
SCHEMBL7448315 0.75 KMT2A (0.49) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL20004346 0.75 LMNA (0.43) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL3817147 0.74 MAPT (0.46) DGAT1ALDH1A1POLBMAPTKMT2A

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-20160212997-A1 AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2016-07-28 US disclosed
EP-3046418-A2 AGRICULTURAL CHEMICALS Redag Crop Protection Ltd (GB) 2016-07-27 EP disclosed
WO-2015040408-A2 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2015-03-26 WO 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-20160212997-A1 AGRICULTURAL CHEMICALS CYP3A7, CYP4X1, CYP2A7 DGAT1 3847/4885RAB9A 4107/4885ALDH1A1 446/4885

“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.