SCHEMBL6809248

SCHEMBL6809248

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.56
EIF2AK3 Q9NZJ5 1/20 0.50
CREBBP Q92793 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
AVPR2 P30518 3/20 0.46
AVPR1A P37288 3/20 0.46
OXTR P30559 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR2B P41595 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6667301 0.94 SMO (0.51) SMOEIF2AK3CREBBPLMNAHTT
SCHEMBL6804470 0.93 SMO (0.50) SMOEIF2AK3CREBBPLMNAHTT
SCHEMBL6804049 0.93 SMO (0.50) SMOEIF2AK3CREBBPLMNAHTT
SCHEMBL6668503 0.93 EIF2AK3 (0.51) SMOEIF2AK3CREBBPAVPR2AVPR1A
SCHEMBL6804640 0.93 SMO (0.50) SMOEIF2AK3CREBBPLMNAAVPR2
SCHEMBL6803784 0.93 EIF2AK3 (0.53) SMOEIF2AK3CREBBPLMNAHTT
SCHEMBL6804490 0.92 EIF2AK3 (0.50) SMOEIF2AK3CREBBPLMNAHTT
Hydrochloric Acid SCHEMBL6664580 0.92 EIF2AK3 (0.50) SMOEIF2AK3CREBBPAVPR2AVPR1A
SCHEMBL6799240 0.92 EIF2AK3 (0.49) SMOEIF2AK3CREBBPAVPR2AVPR1A
SCHEMBL6672281 0.92 EIF2AK3 (0.49) SMOEIF2AK3CREBBPAVPR2AVPR1A

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 2638/4885CREBBP 1901/4885

“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.