SCHEMBL4302280

SCHEMBL4302280

O=C(NCc1ccco1)c1ccc2oc(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.61
EPAS1 Q99814 2/20 0.61
HPGD P15428 7/20 0.47
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL13576905 0.83 HIF1A (0.60) HIF1AEPAS1HPGDALDH1A1TP53
SCHEMBL4303833 0.82 CASP2 (0.55) HIF1AEPAS1ALDH1A1TP53LMNA
SCHEMBL3149012 0.82 HIF1A (0.51) HIF1AEPAS1RAB9A
SCHEMBL3148127 0.81 HIF1A (0.54) HIF1AEPAS1RAB9A
SCHEMBL3143193 0.81 HIF1A (0.52) HIF1AEPAS1ALDH1A1RAB9ALMNA
SCHEMBL4301997 0.80 HIF1A (0.48) HIF1AEPAS1HPGDALDH1A1POLB
SCHEMBL3147956 0.79 PDE10A (0.45) HIF1AEPAS1NPC1RAB9ALMNA
SCHEMBL4297513 0.79 HIF1A (0.52) HIF1AHPGDTP53CYP2C9CYP2D6
SCHEMBL4296027 0.76 HIF1A (0.78) HIF1AEPAS1
SCHEMBL4299480 0.76 HIF1A (1.00) HIF1AEPAS1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US claimed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 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-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL HIF1A 2/4885EPAS1 14/4885HPGD 867/4885

“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.