SCHEMBL6803972

SCHEMBL6803972

O=C(O)c1ccccc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.60
TSHR P16473 3/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 7/20 0.53
NPC1 O15118 7/20 0.53
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
STAT1 P42224 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
IP6K1 Q92551 1/20 0.49

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
SCHEMBL6804476 0.86 CNR2 (0.52) TSHRRECQLRAB9ASMN1; SMN2MAPT
SCHEMBL6637186 0.85 ALDH1A1 (0.47) DHODHTSHRRECQLRAB9ASMN1; SMN2
SCHEMBL7724768 0.80 IP6K1 (0.55) DHODHTSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11187005 0.80 DHODH (0.52) DHODHTSHRRAB9ASMN1; SMN2MAPT
Cyclohexane SCHEMBL8419079 0.79 HNF4A (0.60) TSHRRECQLRAB9ASMN1; SMN2NPC1
SCHEMBL30292805 0.79 HNF4A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL18759613 0.79 HNF4A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3322530 0.78 NPC1 (0.71) DHODHTSHRRAB9ASMN1; SMN2MAPT
SCHEMBL28090800 0.78 BCAT2 (0.64) TSHRRECQLSMN1; SMN2NPC1ALDH1A1
SCHEMBL10692118 0.78 NPC1 (0.71) DHODHTSHRRAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 DHODH 4644/4885TSHR 1272/4885RECQL 4038/4885

“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.