SCHEMBL17468532

SCHEMBL17468532

Cc1nc2ccc(C(=O)N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.62
HSP90AA1 P07900 1/20 0.59
ESR2 Q92731 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
FGFR1 P11362 3/20 0.58
FGFR2 P21802 2/20 0.58
FGFR3 P22607 2/20 0.58
HRH3 Q9Y5N1 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDR P35968 2/20 0.56
PDGFRB P09619 1/20 0.56
ACACB O00763 4/20 0.56
ACACA Q13085 4/20 0.56
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL8262960 0.90 MEN1 (0.60) HRH4FGFR1FGFR2FGFR3HRH3
SCHEMBL20765718 0.88 ALDH1A1 (0.67) HSP90AA1ESR2TDP1FGFR1KDR
SCHEMBL20683090 0.86 HRH4 (0.57) HRH4FGFR1FGFR2FGFR3HRH3
SCHEMBL20683046 0.84 HRH4 (0.58) HRH4FGFR1FGFR2FGFR3HRH3
SCHEMBL20313106 0.82 TSHR (0.56) HRH4FGFR1FGFR2FGFR3HRH3
SCHEMBL16598920 0.81 MAOB (0.56) HSP90AA1ESR2TDP1MEN1KMT2A
SCHEMBL18341894 0.80 HSD17B10 (0.55) HRH4FGFR1FGFR2FGFR3HRH3
SCHEMBL20774926 0.80 ALDH1A1 (0.50) HSP90AA1ESR2TDP1FGFR1FGFR2
SCHEMBL13290560 0.79 KMT2A (0.47) HRH4HSP90AA1ESR2TDP1FGFR1
SCHEMBL8302208 0.79 L3MBTL3 (0.57) FGFR1FGFR2FGFR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 HRH4 3981/4885HSP90AA1 417/4885ESR2 1461/4885

“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.