SCHEMBL6004774

SCHEMBL6004774

CCCC(=O)Nc1ccc(C=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TP53 P04637 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
F2R P25116 1/20 0.42
GRK2 P25098 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL6004294 0.84 POLB (0.52) KDM4EPKMMAPK1POLBGAA
SCHEMBL6004320 0.82 HTT (0.54) KDM4EPKMMAPK1POLBGAA
SCHEMBL6108998 0.80 HDAC1 (0.55) KDM4EPKMMAPK1POLBRAB9A
SCHEMBL6004945 0.79 SMN1; SMN2 (0.63) POLBRAB9AGAAMAPTHSD17B10
SCHEMBL13536979 0.79 KDM4E (0.55) KDM4EPKMMAPK1ADORA2AADORA1
SCHEMBL6004303 0.78 CYP1A2 (0.55) KDM4EMAPK1RAB9AHSD17B10ADORA3
SCHEMBL1006270 0.78 ALDH1A1 (0.45) KDM4EPKMRAB9AGAAMAPT
SCHEMBL2559704 0.77 HPGD (0.49) PKMRAB9AGAAMAPTSMN1; SMN2
SCHEMBL2772761 0.76 ALDH1A1 (0.53) KDM4EPKMMAPK1GAAMAPT
SCHEMBL28135499 0.76 MAPK1 (0.50) KDM4EPKMMAPK1ADORA2AADORA1

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-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US 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 KDM4E 3726/4885PKM 1547/4885MAPK1 2667/4885

“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.