SCHEMBL16014632

SCHEMBL16014632

N#CN=C(Nc1ccc(-c2ccccc2)cc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
PTPN1 P18031 2/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
RAD51 Q06609 1/20 0.38
PORCN Q9H237 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL16014631 1.00 DHODH (0.41) DHODHPTPN1PTPN11KMT2AALDH1A1
SCHEMBL4920373 0.91 KMT2A (0.43) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL2087130 0.91 KMT2A (0.43) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL12793870 0.91 KMT2A (0.43) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL23576281 0.87 KMT2A (0.43) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL4996691 0.87 KMT2A (0.44) KMT2AALDH1A1MAPTCA12CA1
SCHEMBL5005524 0.87 KMT2A (0.55) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL14257545 0.87 FAAH (0.41) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL21396889 0.87 KMT2A (0.55) KMT2AALDH1A1MAPTRAD51NPC1
SCHEMBL4500748 0.87 FAAH (0.41) KMT2AALDH1A1MAPTRAD51NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS DHODH 1421/4885PTPN1 2001/4885PTPN11 2138/4885

“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.