SCHEMBL3072304

SCHEMBL3072304

C/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL3072308 1.00 ALDH1A1 (0.31) ALDH1A1CYP3A4MAPTCYP2D6
Hydrochloric Acid SCHEMBL8590517 0.97 ALDH1A1 (0.35) ALDH1A1CYP3A4MAPTCYP2D6
Hydrochloric Acid SCHEMBL7696269 0.97 ALDH1A1 (0.35) ALDH1A1CYP3A4MAPTCYP2D6
SCHEMBL14049037 0.77
Hydrochloric Acid SCHEMBL9320978 0.74
SCHEMBL7859326 0.69
SCHEMBL19794987 0.69
SCHEMBL15759264 0.63 ALDH1A1 (0.32) ALDH1A1CYP3A4MAPTCYP2D6
SCHEMBL19068563 0.63 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTCYP2D6
SCHEMBL24703458 0.62

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
US-10420339-B2 Aqueous fungicidal composition and use thereof for combating harmful micro organisms BASF SE (DE) 2019-09-24 US disclosed
US-20170112124-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICRO ORGANISMS BASF SE (DE) 2017-04-27 US disclosed
US-8999358-B2 Aqueous insecticidal compositions and the use thereof for protecting lignocellulose-containing materials BASF AKTIENGESELLSCHAFT (DE) 2015-04-07 US disclosed
US-20140234425-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICROORGANISMS BASF SE (DE) 2014-08-21 US disclosed
US-8741968-B2 Aqueous fungicidal composition and use thereof for combating harmful microorganisms BASF AKTIENGESELLSCHAFT (DE) 2014-06-03 US disclosed
US-20100273897-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICROORGANISMS GOETTSCHE REIMER 2010-10-28 US disclosed
US-20080138371-A1 Aqueous Insecticidal Compositions and the Use Thereof for Protecting Lignocellulose-Containing Materials BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed
US-20080090886-A1 Comprising fungicidal organic active substance with solubility in water of not more than 5 g/l at 25 degrees C./1013 mbar, and finely-divided ethylenically unsaturated polymer with particle sizes of not more than 300 nm, in which polymer particles comprise active substance; wood protection BASF AKTIENGESELLSCHAFT (DE) 2008-04-17 US 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-20080138371-A1 Aqueous Insecticidal Compositions and the Use Thereof for Protecting Lignocellulose-Containing Materials ELOVL3, C9, ELOVL1 ALDH1A1 2390/4885CYP3A4 2306/4885MAPT 2234/4885
US-20170112124-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICRO ORGANISMS C1R, MGAM, MYO1G ALDH1A1 969/4885CYP3A4 366/4885MAPT 706/4885
US-20140234425-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICROORGANISMS C1R, MGAM, CHRM1 ALDH1A1 908/4885CYP3A4 233/4885MAPT 985/4885
US-10420339-B2 Aqueous fungicidal composition and use thereof for combating harmful micro organisms C1R, MGAM, MYO1G ALDH1A1 969/4885CYP3A4 366/4885MAPT 706/4885
US-20080090886-A1 Comprising fungicidal organic active substance with solubility in water of not more than 5 g/l at 25 degrees C./1013 mbar, and finely-divided ethylenically unsaturated polymer with particle sizes of not more than 300 nm, in which polymer particles comprise active substance; wood protection C1R, MGAM, CD68 ALDH1A1 630/4885CYP3A4 384/4885MAPT 1435/4885
US-20100273897-A1 AQUEOUS FUNGICIDAL COMPOSITION AND USE THEREOF FOR COMBATING HARMFUL MICROORGANISMS C1R, MGAM, CHRM1 ALDH1A1 908/4885CYP3A4 233/4885MAPT 985/4885

“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.