SCHEMBL7556339

SCHEMBL7556339

CCCC(C(C#N)C(=O)Nc1ccc(Cl)cc1)C1(C)CC1(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F10 P00742 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
HDAC1 Q13547 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL7552223 0.76 USP30 (0.40) ALDH1A1MEN1KMT2ATDP1F10
SCHEMBL29484002 0.68 MEN1 (0.50) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL9818855 0.66 TSHR (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7559399 0.65 MEN1 (0.45) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL10719629 0.65 HSD17B10 (0.48) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL9819026 0.65 HTT (0.53) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL27559383 0.63 MEN1 (0.49) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL19592404 0.63 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7557942 0.63 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL19965677 0.62 CA1 (0.62) ALDH1A1MEN1KMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410486-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use WETTERICH FRANK (DE) 2002-02-14 US disclosed
US-6265447-B1 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 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-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use CBR3, CYCS, CBR1 ALDH1A1 433/4885MEN1 4046/4885KMT2A 2102/4885

“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.