SCHEMBL4821733

SCHEMBL4821733

Clc1cccc2c1[N]C=N2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1177457 0.73 CYP3A4 (0.35) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL2863 0.64
SCHEMBL8150163 0.64 CYP1A2 (0.35) CYP1A2CYP2A6TSHRLMNAMEN1
SCHEMBL17260623 0.62 ACHE (0.36) CYP1A2CYP2A6TSHRLMNAACHE
SCHEMBL5712063 0.62 TRPA1 (0.30)
SCHEMBL28715207 0.61 CYP1A2 (0.47) CYP1A2CYP2A6TSHRLMNAMEN1
SCHEMBL1091757 0.59 CYP1A2 (0.35) CYP1A2CYP2A6TSHRLMNAMEN1
SCHEMBL1491322 0.59 ALDH1A1 (0.36) CYP1A2TSHRLMNAACHEALDH1A1
SCHEMBL1436624 0.59 CYP1A2 (0.35) CYP1A2CYP2A6TSHRLMNAACHE
SCHEMBL2979302 0.59 CYP2A6 (0.35) CYP1A2CYP2A6TSHRACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-11259524-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-03-01 US disclosed
US-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US disclosed
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 US disclosed
EP-3400223-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-11-14 EP disclosed
WO-2017118689-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-13 WO disclosed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 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 (6 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-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 CYP1A2 107/4885CYP2A6 452/4885TSHR 2934/4885
US-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES PIK3C3, DPM1, ERG28 CYP1A2 110/4885CYP2A6 817/4885TSHR 4552/4885
US-10798941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 CYP1A2 133/4885CYP2A6 530/4885TSHR 2937/4885
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 CYP1A2 133/4885CYP2A6 530/4885TSHR 2937/4885
US-11259524-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 CYP1A2 107/4885CYP2A6 452/4885TSHR 2934/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 CYP1A2 30/4885CYP2A6 362/4885TSHR 4538/4885

“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.