SCHEMBL2903030

SCHEMBL2903030

CCO/N=C/c1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.33
ACHE P22303 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2903032 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL5517437 0.85 PPARG (0.43) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL5517442 0.85 PPARG (0.43) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL6571767 0.82 PPARG (0.46) KMT2AMEN1HDAC1HDAC2MIF
SCHEMBL5958034 0.82 PPARG (0.46) KMT2AMEN1HDAC1HDAC2MIF
SCHEMBL7628701 0.81 GAA (0.34) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL5957890 0.80 PPARG (0.42) HDAC1HDAC2MIF
SCHEMBL5957891 0.80 PPARG (0.42) HDAC1HDAC2MIF
SCHEMBL6568482 0.79 PPARG (0.42) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL13351520 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GAANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023658-A1 SUBSTITUTED 2-DIFLUOROMETHYL-NICOTIN(THIO)CARBOXANILIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US disclosed
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
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 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 (3 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 SMN1; SMN2 3768/4885GAA 1809/4885NPC1 208/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR SMN1; SMN2 2519/4885GAA 2373/4885NPC1 4631/4885
US-20190023658-A1 SUBSTITUTED 2-DIFLUOROMETHYL-NICOTIN(THIO)CARBOXANILIDE DERIVATIVES AND THEIR USE AS FUNGICIDES NAPRT, BLVRB, CBR3 SMN1; SMN2 3371/4885GAA 1633/4885NPC1 3736/4885

“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.