SCHEMBL17801688

SCHEMBL17801688

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
LMNA P02545 3/20 0.74
NFKB1 P19838 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 2/20 0.61
MITF O75030 1/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
GFER P55789 1/20 0.61
PAX8 Q06710 1/20 0.61
KLF5 Q13887 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KMO O15229 1/20 0.55

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
SCHEMBL26962452 0.89 NPC1 (0.61) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL121572 0.86 KDM4E (1.00) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL16142074 0.84 KDM4E (0.85) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL9797268 0.82 KDM4E (0.88) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL17801689 0.82 NPC1 (0.56) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL30420821 0.82 RAB9A (0.66) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL17801309 0.82 NPC1 (0.55) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL17801728 0.81 SMN1; SMN2 (0.49) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL28175321 0.81 NPC1 (0.64) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL16568908 0.80 KDM4E (0.64) KDM4ELMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN 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
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 KDM4E 1943/4885LMNA 792/4885NFKB1 2765/4885

“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.