SCHEMBL17801728

SCHEMBL17801728

O=C(NCC(F)(F)F)c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NAMPT P43490 2/20 0.45
GABRA5 P31644 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL16568922 0.85 HDAC6 (0.46) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801708 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801769 0.82 NAMPT (0.59) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL28176313 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801684 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801688 0.81 KDM4E (0.74) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801767 0.79 NPC1 (0.53) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL12725613 0.76 CYP1A2 (0.70) SMN1; SMN2KDM4ELMNANPC1HDAC3
SCHEMBL17317973 0.76 CYP1A2 (0.51) KDM4ELMNAHDAC3HDAC1HDAC6
SCHEMBL15626265 0.76 CYP1A2 (0.51) KDM4ELMNARAB9ANPC1HDAC3

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
CN-107207490-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 SMN1; SMN2 2216/4885KDM4E 1943/4885LMNA 792/4885

“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.