SCHEMBL2114045

SCHEMBL2114045

CCOC(=O)c1cc(-c2cccnc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 2/20 0.50
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
NAMPT P43490 1/20 0.48
MAPT P10636 7/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 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
SCHEMBL11509779 0.86 PPARG (0.48) SMN1; SMN2ALDH1A1HPGDMAPTRAB9A
SCHEMBL892695 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1HPGDCYP2C9
SCHEMBL13363888 0.85 CYP19A1 (0.51) SMN1; SMN2KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL30516592 0.85 CYP19A1 (0.51) SMN1; SMN2KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL2296749 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL23930645 0.80 CYP2A6 (0.54) SMN1; SMN2CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL23212825 0.80 CDC7 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDCYP2C9
SCHEMBL11972313 0.80 CA12 (0.53) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL363984 0.80 CYP2C19 (0.48) SMN1; SMN2KDM4EALDH1A1HPGDCYP2C9
SCHEMBL7424477 0.79 L3MBTL1 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE SMN1; SMN2 3305/4885KDM4E 1038/4885ALDH1A1 2531/4885

“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.