SCHEMBL20683078

SCHEMBL20683078

CSC(C)n1c(C)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 4/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
ALPG P10696 1/20 0.43
APAF1 O14727 1/20 0.43
TNF P01375 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 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
SCHEMBL6910150 0.82 TSHR (0.53) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL2854775 0.82 HSD17B10 (0.57) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL10538765 0.79 LMNA (0.51) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL18250747 0.76 ALDH1A1 (0.58) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL18250744 0.74 HTT (0.55) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL18250699 0.73 TSHR (0.51) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL9538253 0.72 LMNA (0.56) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL9257050 0.72 TSHR (0.50) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL6282436 0.71 TSHR (0.53) TSHRLMNASMN1; SMN2HTTMAPK1
SCHEMBL28923753 0.71 APAF1 (0.56) TSHRLMNASMN1; SMN2HTTMAPK1

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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 TSHR 3949/4885LMNA 1969/4885SMN1; SMN2 303/4885

“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.