SCHEMBL2893787

SCHEMBL2893787

O=C(Nc1c[c]ccc1Cl)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
CETP P11597 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2520042 0.94 KMT2A (0.51) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL2893938 0.80 GAA (0.52) KMT2AALDH1A1GAAHPGDCETP
SCHEMBL2901793 0.76 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL2903210 0.75 SMN1; SMN2 (0.64) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL2903126 0.75 KMT2A (0.51) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL2894903 0.74 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1RAB9ACYP2C19
SCHEMBL7044145 0.74 PTPN1 (0.61) KMT2AMEN1GAARAB9AHPGD
SCHEMBL3814690 0.72 HPGD (0.58) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL28592805 0.72 CYP2C19 (0.64) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL1355851 0.72 SMN1; SMN2 (0.56) KMT2ATSHRALDH1A1GAAPOLB

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 KMT2A 412/4885MEN1 2671/4885TSHR 2740/4885

“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.