SCHEMBL21657710

SCHEMBL21657710

O=C(Nc1ccccc1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 1.00
EPAS1 Q99814 6/20 1.00
RAB9A P51151 8/20 0.79
NPC1 O15118 7/20 0.79
MAPK1 P28482 4/20 0.77
LMNA P02545 4/20 0.77
MAPT P10636 3/20 0.77
KMT2A Q03164 2/20 0.77
MEN1 O00255 1/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
HTT P42858 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
ALDH1A1 P00352 2/20 0.72
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
STAT3 P40763 1/20 0.69
CACNA1B Q00975 1/20 0.69
APBA1 Q02410 1/20 0.69
SAE1 Q9UBE0 1/20 0.69
UBA2 Q9UBT2 1/20 0.69

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
SCHEMBL8769811 0.89 RAB9A (0.83) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL21024443 0.88 RAB9A (1.00) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL28648364 0.88 RAB9A (1.00) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL14409565 0.87 RAB9A (0.79) HIF1AEPAS1RAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL31072329 0.87 RAB9A (0.97) HIF1AEPAS1RAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL31072327 0.87 RAB9A (0.97) HIF1AEPAS1RAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL31072328 0.87 RAB9A (0.97) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL16085545 0.85 SMN1; SMN2 (0.79) HIF1AEPAS1RAB9ANPC1LMNA
SCHEMBL10238341 0.84 HIF1A (0.71) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL24024131 0.84 RAB9A (0.91) HIF1AEPAS1RAB9ANPC1MAPK1

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-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 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-10548911-B2 Small molecule anti-scarring agents COLGALT1, MMP1, FIBP HIF1A 3320/4885EPAS1 2164/4885RAB9A 1741/4885

“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.