SCHEMBL23329668

SCHEMBL23329668

CC(C)c1nccnc1-c1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL29659858 0.87 ADRA2A (0.31) GBA1
SCHEMBL22498667 0.87 ADRA2A (0.31) GBA1
SCHEMBL29434541 0.87 ADRA2A (0.31) GBA1
SCHEMBL22498669 0.87 ADRA2A (0.31) GBA1
SCHEMBL23329670 0.79 TGFBR1 (0.36)
SCHEMBL24926786 0.79 TGFBR1 (0.33) MAPK1L3MBTL1
SCHEMBL24926671 0.77 NPC1 (0.36) NPC1RAB9AKDM4EALDH1A1
SCHEMBL26422208 0.77 CCR1 (0.35) GBA1NPC1RAB9AKDM4EALDH1A1
SCHEMBL22519716 0.76 GRM5 (0.40) KDM4EALDH1A1L3MBTL1
SCHEMBL24926677 0.76 NPSR1 (0.40) RAB9AKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230053607-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-02-23 US disclosed
WO-2023006789-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-02-02 WO disclosed
US-20230002359-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 US disclosed
WO-2022101265-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-19 WO disclosed
WO-2021151926-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 WO disclosed
WO-2021148639-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-07-29 WO disclosed
WO-2021122645-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-24 WO disclosed
WO-2021110891-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021083936-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-05-06 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 (4 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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 GBA1 1648/4885NPC1 1705/4885RAB9A 1157/4885
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS DDT, ACHE, DDC GBA1 3370/4885NPC1 3379/4885RAB9A 1044/4885
US-20230053607-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS DDT, ACHE, DDC GBA1 3370/4885NPC1 3379/4885RAB9A 1044/4885
US-20230002359-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 GBA1 1646/4885NPC1 1608/4885RAB9A 1020/4885

“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.