SCHEMBL6482501

SCHEMBL6482501

O=[N+]([O-])c1cccc(OCC(O)CO)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
NPC1 O15118 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6482493 1.00 TSHR (0.57) TSHRMAPK1CHRNB2CHRNA4NPC1
SCHEMBL11241976 0.92 CHRNB2 (0.56) TSHRCHRNB2CHRNA4NPC1KMT2A
SCHEMBL773149 0.87 NPC1 (0.53) TSHRCHRNB2CHRNA4NPC1KMT2A
SCHEMBL4331852 0.87 NPC1 (0.55) TSHRMAPK1CHRNB2CHRNA4NPC1
SCHEMBL7870934 0.86 CHRNB2 (0.57) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL1496537 0.81 GAA (0.68) MAPK1KMT2AMEN1GAAMAPT
SCHEMBL15498195 0.81 L3MBTL1 (0.54) TSHRCHRNB2CHRNA4NPC1KMT2A
SCHEMBL10041787 0.81 CHRNB2 (0.60) TSHRCHRNB2CHRNA4KMT2AMEN1
SCHEMBL3671328 0.81 MAPK1 (0.83) TSHRMAPK1KMT2AMEN1ADRB1
SCHEMBL11761831 0.80 ADRB1 (0.67) CHRNB2CHRNA4NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed
WO-2003026665-A1 2-PHENYLAMINO-4-(5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 TSHR 3008/4885MAPK1 3670/4885CHRNB2 4428/4885

“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.