SCHEMBL5226002

SCHEMBL5226002

COc1ccc(Cl)c(NC(=O)C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
P2RX7 Q99572 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
PDK1 Q15118 2/20 0.48
PDK2 Q15119 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL4013508 0.83 GAA (0.56) KMT2AMEN1P2RX7MAPTLMNA
SCHEMBL30117898 0.82 ALDH1A1 (0.64) TDP1KMT2AMEN1HDAC1HDAC8
SCHEMBL27839544 0.82 TDP1 (0.61) TDP1KMT2AMEN1HDAC1HDAC8
SCHEMBL2847925 0.82 ALDH1A1 (0.64) TDP1KMT2AMEN1HDAC1HDAC8
SCHEMBL9836766 0.82 P2RX7 (0.58) TDP1KMT2AMEN1RAB9AHDAC1
SCHEMBL14598625 0.82 TDP1 (0.51) TDP1KMT2AMEN1HDAC1HDAC8
SCHEMBL1234368 0.81 ALDH1A1 (0.47) KMT2AMEN1RAB9AMAPTHTT
SCHEMBL30076369 0.81 ALDH1A1 (0.47) KMT2AMEN1RAB9AMAPTHTT
SCHEMBL3032397 0.81 TDP1 (0.56) TDP1KMT2AMEN1HDAC1HDAC8
SCHEMBL7470294 0.80 MEN1 (0.74) TDP1KMT2AMEN1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731381-B The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof 美国陶氏益农公司 2016-08-17 CN disclosed
CN-102731382-A 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-10-17 CN disclosed
CN-102731381-A 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-10-17 CN disclosed
CN-101360713-B 6- (polysubstituted aryl) -4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-08-15 CN disclosed
CN-101360713-A 6- (polysubstituted aryl) -4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-02-04 CN disclosed
EP-1801106-A2 New spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-7214676-B2 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC (US) 2007-05-08 US disclosed
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PFIZER INC. 2007-03-01 US disclosed
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PFIZER INC 2004-10-28 US disclosed
US-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC 2002-12-26 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 (3 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-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A TDP1 137/4885KMT2A 2878/4885MEN1 1497/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A TDP1 137/4885KMT2A 2878/4885MEN1 1497/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A TDP1 163/4885KMT2A 3460/4885MEN1 1679/4885

“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.