SCHEMBL16712985

SCHEMBL16712985

COc1cc(O)ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.61
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL16712991 0.91 HTT (0.55) GUSBESR1ESR2MEN1KMT2A
SCHEMBL16076893 0.84 AKR1C3 (0.65) GUSBESR1ESR2ALDH1A1AKR1C3
SCHEMBL27514769 0.84 GUSB (0.50) GUSBESR1ESR2MEN1KMT2A
SCHEMBL10169410 0.83 APP (0.55) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL27739024 0.82 GUSB (0.50) GUSBESR1ESR2MEN1KMT2A
SCHEMBL11688979 0.82 ADORA3 (0.51) GUSBMEN1KMT2ATDP1ADORA3
SCHEMBL9446140 0.82 ESR2 (0.73) GUSBESR1ESR2KDM4EMGAM
SCHEMBL4911728 0.81 TTR (0.60) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL6068096 0.80 LMNA (0.56) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL3810477 0.80 ESR2 (0.71) GUSBESR1ESR2MEN1KMT2A

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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P GUSB 1716/4885ESR1 407/4885ESR2 492/4885

“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.