SCHEMBL2946590

SCHEMBL2946590

CC(C)(C)C(=O)Nc1ccc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 2/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
CETP P11597 1/20 0.42

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
SCHEMBL1282557 0.87 PDK1 (0.45) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL14254877 0.83 HTT (0.60) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL422893 0.81 CA1 (0.58) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL30559973 0.81 CA1 (0.58) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL17938258 0.80 HTT (0.53) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL16992886 0.80 RAB9A (0.51) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28599011 0.80 NPC1 (0.40) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL16692867 0.80 KCNQ4 (0.47) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL14254883 0.79 HTT (0.55) MEN1KMT2ARAB9APOLBPDK1
SCHEMBL3909893 0.79 NPC1 (0.51) MEN1KMT2ARXFP1NPC1RAB9A

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-7750186-B2 Methods for the manufacture of biphenyl amines BAYER CROPSCIENCE AG (DE) 2010-07-06 US disclosed
US-20080194835-A1 Methods for the Manufacture of Biphenyl Amines BAYER GROPSCIENCE AG (DE) 2008-08-14 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-20080194835-A1 Methods for the Manufacture of Biphenyl Amines DDT, AADAC, CYP1B1 MEN1 955/4885KMT2A 157/4885RXFP1 4414/4885

“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.