SCHEMBL10071008

SCHEMBL10071008

CCCCOc1c(C(=O)OC)nc2c(N3CCCCC3=O)cc(Br)cn2c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MMP1 P03956 3/20 0.31
MMP9 P14780 3/20 0.31
MMP13 P45452 3/20 0.31
TLR7 Q9NYK1 2/20 0.31
SLC6A5 Q9Y345 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10070426 0.97 ALDH1A1 (0.35) ALDH1A1HSD17B10SMN1; SMN2CYP1A2TLR7
SCHEMBL368995 0.86 HPGD (0.41) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL10070933 0.86
SCHEMBL10070044 0.86 MMP1 (0.32) ALDH1A1MMP1MMP9MMP13TLR7
SCHEMBL10070068 0.86 HSD17B10 (0.35) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL10070422 0.85 TLR7 (0.31) SMN1; SMN2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL10069879 0.84 TYK2 (0.32) SMN1; SMN2TLR7TYK2
SCHEMBL369332 0.84 LMNA (0.41) ALDH1A1HSD17B10KDM4ELMNATSHR
SCHEMBL10070064 0.83 HPGD (0.35) ALDH1A1HSD17B10SMN1; SMN2CYP1A2TSHR
SCHEMBL10070428 0.83

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
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 ALDH1A1 1686/4885HSD17B10 2118/4885MEN1 4041/4885

“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.