SCHEMBL6004945

SCHEMBL6004945

CCCC(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
GRK2 P25098 1/20 0.63
RECQL P46063 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.58
POLB P06746 2/20 0.58
HSD17B10 Q99714 1/20 0.56
GAA P10253 2/20 0.53
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
FPR2 P25090 1/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL31241113 0.91 POLB (0.68) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL6004315 0.83 MEN1 (0.63) SMN1; SMN2L3MBTL1GRK2CTDSP1ALDH1A1
SCHEMBL1762219 0.82 NPC1 (0.59) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL6005485 0.81 ALDH1A1 (0.56) SMN1; SMN2NPC1L3MBTL1ALDH1A1POLB
SCHEMBL13536979 0.81 KDM4E (0.55) SMN1; SMN2NPC1TDP1CTDSP1POLB
SCHEMBL23973932 0.81 NPC1 (0.58) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL12069248 0.81 NPC1 (0.58) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL7933341 0.81 NPC1 (0.58) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL31642790 0.80 THRB (0.66) SMN1; SMN2NPC1L3MBTL1TDP1GRK2
SCHEMBL10629048 0.80 MAPT (0.53) SMN1; SMN2NPC1L3MBTL1TDP1GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
CN-1759099-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2006-04-12 CN disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 SMN1; SMN2 1408/4885NPC1 237/4885L3MBTL1 4500/4885

“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.