SCHEMBL6803877

SCHEMBL6803877

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1ccccc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.47
EIF2AK3 Q9NZJ5 1/20 0.46
MAPT P10636 8/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KLF5 Q13887 1/20 0.46
ALDH1A1 P00352 4/20 0.45
AVPR1A P37288 2/20 0.42
AVPR2 P30518 1/20 0.42
OXTR P30559 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 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
SCHEMBL6805248 0.93 SMO (0.47) SMOEIF2AK3MAPTRAB9ANPC1
SCHEMBL6803987 0.92 SMO (0.46) SMOEIF2AK3HTTAVPR1AAVPR2
SCHEMBL6668601 0.92 SMO (0.46) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6809248 0.90 SMO (0.56) SMOEIF2AK3HTTALDH1A1AVPR1A
SCHEMBL6668503 0.89 EIF2AK3 (0.51) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6804640 0.89 SMO (0.50) SMOEIF2AK3MAPTAVPR1AAVPR2
SCHEMBL6804049 0.89 SMO (0.50) SMOEIF2AK3MAPTHTTAVPR1A
SCHEMBL6803784 0.89 EIF2AK3 (0.53) SMOEIF2AK3HTTAVPR1AAVPR2
SCHEMBL6804470 0.89 SMO (0.50) SMOEIF2AK3HTTAVPR1AAVPR2
SCHEMBL6667301 0.88 SMO (0.51) SMOEIF2AK3RAB9AHTTAVPR1A

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 SMO 4390/4885EIF2AK3 2638/4885MAPT 4047/4885

“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.