SCHEMBL6834579

SCHEMBL6834579

Cc1nccn1CCC(N)=NO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FDPS P14324 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1178451 0.79 KMT2A (0.56) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL467176 0.76
SCHEMBL4779659 0.75 ALDH1A1 (0.72) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL5077961 0.75 KMT2A (0.51) ALDH1A1KMT2APOLBTSHRCA12
Bromide SCHEMBL28651634 0.74 ALDH1A1 (0.60) ALDH1A1KMT2APOLBTSHRCA12
Hydrochloric Acid SCHEMBL18128494 0.74 KMT2A (0.60) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL992745 0.74 SMN1; SMN2 (0.61) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL4298077 0.74 KMT2A (0.57) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL440676 0.72
SCHEMBL4410767 0.72 KMT2A (0.63) ALDH1A1KMT2APOLBTSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2004-01-15 US disclosed
EP-1244658-A2 AZOLYL-ALKYL AZOLE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2002-10-02 EP disclosed
US-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-01-24 US disclosed
WO-2001047918-A2 AZOLYALKYL-OXA(DI)AZOLYL PYRI(MI)DINE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-07-05 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 (2 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-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC ALDH1A1 53/4885KMT2A 518/4885POLB 4731/4885
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC ALDH1A1 53/4885KMT2A 518/4885POLB 4731/4885

“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.