SCHEMBL2897703

SCHEMBL2897703

Clc1ccccc1-n1c[c]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ADRB1 P08588 1/20 0.41
NOTUM Q6P988 2/20 0.41
MGLL Q99685 1/20 0.38
PARP1 P09874 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MTOR P42345 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2753769 0.85 NOTUM (0.44) ADRB1NOTUMTSHRDRD4DRD3
SCHEMBL2754334 0.78 CYP1A2 (0.32) NOTUMLMNATSHRALDH1A1TDP1
SCHEMBL2753542 0.77 NOTUM (0.44) NOTUMLMNATSHRALDH1A1TDP1
SCHEMBL2752537 0.77 NOTUM (0.44) NOTUMLMNAMEN1HTTKMT2A
SCHEMBL5659872 0.76 ADRB1 (0.40) ADRB1NOTUMMGLLADORA3LMNA
SCHEMBL2902914 0.76 NOTUM (0.41) NOTUMMGLLADORA3ALDH1A1DRD4
SCHEMBL7228707 0.74 BCHE (0.41) BCHELMNAHTTRAB9A
SCHEMBL2900918 0.74 MEN1 (0.35) MEN1KMT2AKDM4ERAB9AP2RX7
SCHEMBL19212320 0.73 KDM4E (0.42) TSHRALDH1A1DRD4KMT2AKDM4E
SCHEMBL2897047 0.72 ALDH1A1 (0.44) LMNAALDH1A1TDP1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR BCHE 329/4885ADRB1 379/4885NOTUM 945/4885

“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.