SCHEMBL6720187

SCHEMBL6720187

O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.87
NPC1 O15118 6/20 0.87
SMN1; SMN2 Q16637 4/20 0.87
ESRRG P62508 2/20 0.79
MAPT P10636 6/20 0.77
KMT2A Q03164 5/20 0.77
ALDH1A1 P00352 2/20 0.77
PKM P14618 2/20 0.77
MEN1 O00255 4/20 0.75
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
POLB P06746 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HDAC3 O15379 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
NCOR2 Q9Y618 1/20 0.69
CA1 P00915 1/20 0.65

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
SCHEMBL711754 0.96 RAB9A (0.81) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL711755 0.96 RAB9A (0.81) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL2830919 0.96 RAB9A (0.81) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL20115425 0.93 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL21292680 0.93 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL1563349 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL6634765 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL1563347 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL13568982 0.92 RAB9A (0.87) RAB9ANPC1SMN1; SMN2ESRRGMAPT
SCHEMBL13475702 0.92 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ESRRGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862883-B1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH ADEKA CORP (JP) 2019-09-25 EP disclosed
US-20180161755-A1 Metal-Organic Frameworks (MOFs), Method For Their Preparation And Their Application UNIWERSYTET JAGIELLONSKI (PL) 2018-06-14 US disclosed
US-9243127-B2 Method for producing nucleator masterbatch ADEKA CORPORATION (JP) 2016-01-26 US disclosed
US-20150152248-A1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH ADEKA CORPORATION (JP) 2015-06-04 US disclosed
EP-2862883-A1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH Adeka Corporation (JP) 2015-04-22 EP disclosed
US-8288462-B2 Polyolefin resin composition ADEKA CORPORATION (JP) 2012-10-16 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20110218279-A1 POLYOLEFIN RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-09-08 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (2 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 RAB9A 3114/4885NPC1 777/4885SMN1; SMN2 3619/4885
US-20180161755-A1 Metal-Organic Frameworks (MOFs), Method For Their Preparation And Their Application DCX, MDH2, PDHA2 RAB9A 3864/4885NPC1 1997/4885SMN1; SMN2 2363/4885

“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.