SCHEMBL5541342

SCHEMBL5541342

CCCCCCCCCCCCCCCCCCN(C#N)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.48
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GBA1 P04062 1/20 0.35
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL9620639 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3297653 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL7704071 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL9620474 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3295731 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3296101 1.00 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3299577 0.97 DNM1 (0.43) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL11510525 0.95 DNM1 (0.42) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL11511182 0.95 DNM1 (0.42) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL8183287 0.90 DNM1 (0.44) DNM1TSHRTHRBZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269546-B1 CYANAMIDE DERIVATIVES AS VULCANIZATION RATE MODIFIERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-01-02 EP claimed
EP-0269546-A1 Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-06-01 EP claimed
US-4714742-A Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-12-22 US claimed
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 EP disclosed
EP-1153029-B1 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INT BV (NL) 2007-01-10 EP disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 US disclosed
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 US disclosed
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 WO disclosed
EP-0269546-B1 CYANAMIDE DERIVATIVES AS VULCANIZATION RATE MODIFIERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-01-02 EP disclosed
EP-0269546-A1 Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-06-01 EP disclosed
US-4714742-A Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-12-22 US 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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM DNM1 266/4885TSHR 1563/4885THRB 3526/4885

“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.