SCHEMBL17801684

SCHEMBL17801684

CS(=O)(=O)CCNC(=O)c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
NAMPT P43490 1/20 0.45
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 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
SCHEMBL17802449 0.85 ALDH1A1 (0.43) SMN1; SMN2LMNATHRBRAB9AALDH1A1
SCHEMBL17801708 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL28176313 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801728 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801769 0.79 NAMPT (0.59) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801688 0.78 KDM4E (0.74) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801302 0.74 RAB9A (0.42) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL17801346 0.71 NPC1 (0.41) KDM4ELMNARAB9ANPC1TP53
SCHEMBL17801734 0.71 MAPT (0.61) SMN1; SMN2KDM4ELMNARAB9AALDH1A1
SCHEMBL17851358 0.71 RAB9A (0.56) SMN1; SMN2KDM4ELMNARAB9AALDH1A1

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.