SCHEMBL763871

SCHEMBL763871

CC(=N)N(CCCF)Cc1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 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
SCHEMBL738903 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL738902 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL763408 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL6518949 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL10192467 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL17202936 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMDGAT1
Hydrochloric Acid SCHEMBL8306028 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL1800282 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL16803412 0.72 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL3831391 0.71 HDAC6 (0.45) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives BAYER CROPSCIENCE AG (DE) 2010-02-25 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 (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-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives NCLN, NISCH, DDT ALDH1A1 3834/4885MEN1 3932/4885KMT2A 1311/4885

“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.