SCHEMBL17801708

SCHEMBL17801708

CSCCNC(=O)c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 3/20 0.46
NAMPT P43490 3/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL17801684 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4ENFKB1NFKB2
SCHEMBL17802456 0.85 RAB9A (0.44) SMN1; SMN2LMNATHRBRAB9AALDH1A1
SCHEMBL28176313 0.83 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4ENFKB1NFKB2
SCHEMBL17801728 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4ENFKB1NFKB2
SCHEMBL17801769 0.80 NAMPT (0.59) SMN1; SMN2LMNAKDM4ENFKB1NFKB2
SCHEMBL17801688 0.79 KDM4E (0.74) SMN1; SMN2LMNAKDM4ENFKB1NFKB2
SCHEMBL16569011 0.79 ALDH1A1 (0.47) SMN1; SMN2LMNAKDM4ERAB9AALDH1A1
SCHEMBL12725702 0.78 CYP1A2 (0.69) SMN1; SMN2LMNAKDM4ERAB9AALDH1A1
SCHEMBL14238515 0.77 CYP1A2 (0.52) SMN1; SMN2LMNAKDM4ERAB9AALDH1A1
SCHEMBL14652378 0.75 MEN1 (0.50) SMN1; SMN2LMNAKDM4ERAB9AALDH1A1

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 2216/4885LMNA 792/4885KDM4E 1943/4885

“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.