SCHEMBL5010680

SCHEMBL5010680

O=CNN1C=CC=C(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9495344 0.73 TP53 (0.33) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL18640764 0.70 TSHR (0.42) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL15558347 0.68 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL9420776 0.68 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL468058 0.68 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL28702490 0.68 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL9499116 0.67 MAPT (0.32) MAPK1HSD17B10KMT2A
SCHEMBL9498587 0.67 CBS (0.41) TSHRKMT2A
Iodide SCHEMBL10567947 0.67 TSHR (0.36) TSHRMAPK1HSD17B10TDP1THRB
Water SCHEMBL28685341 0.67 TSHR (0.36) TSHRMAPK1HSD17B10TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-7151182-B2 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2006-12-19 US disclosed
EP-1280795-B1 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-23 EP disclosed
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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 (3 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-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 TSHR 4298/4885MAPK1 2798/4885HSD17B10 2067/4885
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 TSHR 4418/4885MAPK1 2389/4885HSD17B10 2785/4885
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, CPS1 TSHR 4522/4885MAPK1 2192/4885HSD17B10 1423/4885

“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.