SCHEMBL3915908

SCHEMBL3915908

CCCCCC(CCC)C(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPT P10636 1/20 0.68
MAPK1 P28482 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HDAC8 Q9BY41 7/20 0.65
HDAC3 O15379 5/20 0.65
HDAC6 Q9UBN7 5/20 0.65
HDAC1 Q13547 5/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
EPHX1 P07099 3/20 0.51

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
SCHEMBL7099035 0.92 MEN1 (0.78) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL20621920 0.92 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11518363 0.91 MEN1 (0.81) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL29269298 0.89 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL29269467 0.89 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16289643 0.89 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3923314 0.86 MEN1 (0.89) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16106143 0.85 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11652739 0.84 MEN1 (0.86) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL28917678 0.84 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTMAPK1

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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
EP-2032527-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-03-11 EP disclosed
WO-2007144281-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2007-12-21 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 (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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 MEN1 303/4885KMT2A 41/4885ALDH1A1 1506/4885

“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.