SCHEMBL824173

SCHEMBL824173

CN1CCC(c2cccc([N+](=O)[O-])c2O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1F P30939 1/20 0.44
ERN1 O75460 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
HTR6 P50406 2/20 0.41
SLC18A3 Q16572 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL824145 0.82 GPR35 (0.56) GPR35KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL1967596 0.75 HSP90AA1 (0.58) GPR35SMN1; SMN2MAPK1HTR1AHTR1D
SCHEMBL824207 0.74 HDAC3 (0.43) HTR1DHTR1FHTR6
SCHEMBL6629980 0.72 VCAM1 (0.44) KMT2AMAPTMAPK1TDP1HTR1A
SCHEMBL834229 0.72 QDPR (0.41) HTR1FHTR6
SCHEMBL17477167 0.71 HTR6 (0.41) KMT2AMAPTMAPK1HTR1AHTR1D
SCHEMBL824172 0.71 QDPR (0.53) HTR6
SCHEMBL2049964 0.71 TDP1 (0.48) GPR35KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL3882151 0.70 HRH4 (0.56) GPR35KMT2ASMN1; SMN2ERN1HRH4
SCHEMBL16163834 0.70 GPR35 (0.45) GPR35KMT2ASMN1; SMN2MAPTMAPK1

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 546/4885KMT2A 2684/4885SMN1; SMN2 1872/4885
US-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK GPR35 546/4885KMT2A 2684/4885SMN1; SMN2 1872/4885

“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.