SCHEMBL824145

SCHEMBL824145

O=[N+]([O-])c1cccc(C2CCCCC2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
HSP90AA1 P07900 1/20 0.51
ERN1 O75460 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC18A3 Q16572 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTPN5 P54829 2/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL7335158 0.83 HSP90AA1 (0.49) HSP90AA1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL824173 0.82 GPR35 (0.50) GPR35ERN1SMN1; SMN2ALDH1A1HTT
SCHEMBL1065970 0.81 MEN1 (0.47) HSP90AA1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL824130 0.81 GPR35 (0.45) GPR35ERN1SMN1; SMN2ALDH1A1HTT
SCHEMBL9101398 0.79 HSP90AA1 (0.43) GPR35HSP90AA1SMN1; SMN2ALDH1A1HTT
SCHEMBL4958978 0.78 PTPN5 (0.46) HSP90AA1KMT2AMEN1MAPTKDM4E
SCHEMBL4958862 0.78 PTPN5 (0.46) HSP90AA1KMT2AMEN1MAPTKDM4E
SCHEMBL4959318 0.78 PTPN5 (0.46) HSP90AA1KMT2AMEN1MAPTKDM4E
SCHEMBL201425 0.78 PTPN5 (0.46) HSP90AA1KMT2AMEN1MAPTKDM4E
SCHEMBL4960398 0.78 PTPN5 (0.46) HSP90AA1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
WO-2008070583-A2 THROMBOPOIETIN MIMETICS STATEGICS, INC. (US) 2008-06-12 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 (2 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-20080139621-A1 Thrombopoietin Mimetics MPL, THPO, TEK GPR35 546/4885HSP90AA1 1400/4885ERN1 3288/4885
US-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK GPR35 546/4885HSP90AA1 1400/4885ERN1 3288/4885

“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.