SCHEMBL7689425

SCHEMBL7689425

CC(=O)c1c[nH]c(Br)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.42
PBRM1 Q86U86 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NOTUM Q6P988 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HASPIN Q8TF76 1/20 0.32
NR4A2 P43354 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL353039 0.77 BRPF1 (0.44) BRPF1PBRM1KDM4EHSD17B10NOTUM
SCHEMBL29951594 0.71 BRPF1 (0.40) BRPF1PBRM1KDM4EHSD17B10SMN1; SMN2
SCHEMBL11201376 0.68 NPSR1 (0.43) BRPF1NR4A2
SCHEMBL7683073 0.67 SMN1; SMN2 (0.51) BRPF1PBRM1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2494049 0.67
SCHEMBL8198680 0.66 GRM1 (0.53) KDM4EHSD17B10MEN1ALDH1A1TP53
SCHEMBL21752165 0.65 BRPF1 (0.45) BRPF1PBRM1KDM4EHSD17B10SMN1; SMN2
SCHEMBL24800882 0.65 MYC (0.43) KDM4ESMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6469935 0.65 ALDH1A1 (0.40) BRPF1HSD17B10SMN1; SMN2MEN1ALDH1A1
SCHEMBL17342913 0.65 RAB9A (0.42) BRPF1PBRM1KDM4ENOTUMSMN1; SMN2

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-6417202-B1 3-ACETYL-4-METHYL-2,5-DI(4-PYRIDYL)-1H-PYRROLE, FOR EXAMPLE; TREATING CELL ADHESION MOLECULES (CAMS) MEDIATED DISEASES SUCH AS ARTHRITIS, AIDS, SEPTIC SHOCK, CACHEXIA, TRANSPLANT REJECTION PFIZER INC. 2002-07-09 US disclosed
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection ICAM1, VCAM1, CD14 BRPF1 3642/4885PBRM1 2038/4885KDM4E 901/4885

“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.