SCHEMBL25540417

SCHEMBL25540417

O=C(COc1ccc(I)c(Cl)c1)NC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.55
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45
MCHR1 Q99705 1/20 0.44

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
SCHEMBL19692630 0.89 ATF4 (0.59) ATF4HPGDRAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL19692616 0.88 ATF4 (0.58) ATF4HPGDRAB9AHTTKMT2A
SCHEMBL21384511 0.83 ATF4 (0.71) ATF4HPGDRAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL23294544 0.82 ATF4 (0.69) ATF4HPGDRAB9AHTTKMT2A
SCHEMBL4033699 0.82 ATF4 (0.81) ATF4HPGDRAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL19692584 0.81 ATF4 (0.79) ATF4HPGDRAB9AHTTKMT2A
SCHEMBL5124087 0.81 MCHR1 (0.61) ATF4HPGDRAB9AHTTSMN1; SMN2
SCHEMBL23702451 0.80 ATF4 (0.66) ATF4HPGDRAB9AHTTKMT2A
SCHEMBL16082972 0.79 ATF4 (0.71) ATF4HPGDRAB9AHTTKMT2A
Tert-Butyl Formate SCHEMBL28283850 0.79 ATF4 (0.48) ATF4HPGDRAB9AHTTKMT2A

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-20230165848-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 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-20230165848-A1 CHEMICAL COMPOUNDS ATF4, XBP1, EIF2B5 ATF4 1/4885HPGD 4571/4885RAB9A 1147/4885

“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.